1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane-1-sulfonyl fluoride (CED0191424)

Record Information

Version

1.0

Creation Date

2026-04-03 05:22:39 UTC

Update Date

2026-08-22 19:26:37 UTC

SynCED ID

CED0191424

Secondary Accession Numbers

CHEM061939

Identification

Common Name

1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane-1-sulfonyl fluoride

Class

Small Molecule

Description

1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane-1-sulfonyl fluoride is an organic compound with the chemical formula C4H1F9O3S1 and an average molecular weight of 300.09 g/mol. 1,1,2,2-Tetrafluoro-2-(1,1,2,2-tetrafluoroethoxy)ethane-1-sulfonyl fluoride belongs to the sulfonyl fluorides, a subclass of sulfonyl halides within the organic compounds. This substance is found in or released from 13 recorded sources across multiple sectors. Within the electrical and electronic equipment sector, it is associated with capacitors, cell phones, printed circuit boards, wires and cables, batteries, and one additional source. It is also found in the textiles, leather and furnishings sector, specifically in carpets, rugs, and synthetic textiles. Other recorded sources include food packaging from the food, food processing and cookware sector, as well as medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is used as lubricants within the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, along with one other sector. Recorded exposure routes for this compound include touch, oral, and inhalation.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₄H₁F₉O₃S₁

Average Molecular Mass

300.090 g/mol

Monoisotopic Mass

299.950 g/mol

CAS Registry Number

104729-49-9

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

FC(F)C(F)(F)OC(F)(F)C(F)(F)S(F)(=O)=O

InChI Identifier

InChI=1S/C4HF9O3S/c5-1(6)2(7,8)16-3(9,10)4(11,12)17(13,14)15/h1H

InChI Key

XLXYXEHVIIRCGY-UHFFFAOYSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as sulfonyl fluorides. Sulfonyl fluorides are compounds containing a sulfonyl (R-S(=O)2-R') functional group singly bonded to a fluorine atom.

Kingdom

Organic compounds

Super Class

Organohalogen compounds

Class

Sulfonyl halides

Sub Class

Sulfonyl fluorides

Direct Parent

Sulfonyl fluorides

Alternative Parents

Substituents

Sulfonyl
Sulfonyl fluoride
Organosulfonic acid or derivatives
Organic sulfonic acid or derivatives
Organic oxygen compound
Organic oxide
Hydrocarbon derivative
Organosulfur compound
Organooxygen compound
Organofluoride
Alkyl halide
Alkyl fluoride
Aliphatic acyclic compound

Molecular Framework

Aliphatic acyclic compounds

External Descriptors

Not Available

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
243.0 Log mg/kg [140:430]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000007	Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.	Agriculture & land management	Not Available
CEDs000120	Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.	Electrical & Electronic Equipment	Not Available
CEDs000121	Printed circuit boards?Printed circuit boards (PCBs) are essential components in the manufacturing of electronic devices, serving as the backbone for electrical connections and circuit pathways.	Electrical & Electronic Equipment	Not Available
CEDs000125	Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.	Electrical & Electronic Equipment	Not Available
CEDs000130	Semiconductors?Semiconductors are materials that possess electrical conductivity between that of conductors and insulators, making them essential for various electronic applications, including transistors, diodes, and integrated circuits.	Electrical & Electronic Equipment	Not Available
CEDs000138	Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.	Energy, oil & gas	Not Available
CEDs000147	Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.	Food, food processing & cookware	Not Available
CEDs000174	Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.	Industrial manufacturing & chemical processing	Not Available
CEDs000234	Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.	Healthcare, pharmaceuticals & veterinary products	Not Available
CEDs000451	Carpets and Rugs?Carpets and rugs are commonly manufactured using synthetic fibers such as nylon, polyester, and polypropylene, which can be derived from petrochemical sources.	Textiles, leather & furnishings	Not Available
CEDs000454	Synthetic textiles?Synthetic textiles are materials derived from man-made fibers, such as polyester, nylon, and acrylic, which are produced through chemical processes involving petrochemicals.	Textiles, leather & furnishings	Not Available
CEDs000490		Personal care & cosmetics	Not Available
CEDs000492	Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.	Electrical & Electronic Equipment	Not Available
CEDs000493	Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.	Electrical & Electronic Equipment	Not Available
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000600	Herbicides And Algicides?Herbicides and algicides are synthetic chemicals primarily used to control unwanted plants and algae in various environments.	Agriculture & land management	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.162 Low confidence Statistical Significance 0.981 Supporting Reference Compounds 372 E-value 7636.77
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.162 Low confidence Statistical Significance 0.945 Supporting Reference Compounds 165 E-value 7357.14
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.132 Applicability Domain 0.19 Low confidence Statistical Significance 0.9991 Supporting Reference Compounds 1538 E-value 7777.76
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.131 Applicability Domain 0.19 Low confidence Statistical Significance 0.9988 Supporting Reference Compounds 1245 E-value 7775.97
Click to view 3D structure	Carbonic anhydrase 2	P00921	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.222 Low confidence Statistical Significance 0.3959 Supporting Reference Compounds 22 E-value 3081.74
Click to view 3D structure	Carbonic anhydrase 13	Q8N1Q1	Humans	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.222 Low confidence Statistical Significance 0.9523 Supporting Reference Compounds 92 E-value 7413.81
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.127 Applicability Domain 0.146 Low confidence Statistical Significance 0.7829 Supporting Reference Compounds 64 E-value 6094.89
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.126 Applicability Domain 0.19 Low confidence Statistical Significance 0.9992 Supporting Reference Compounds 1130 E-value 7778.93
Click to view 3D structure	Cytochrome P450 2C19	P33261	Humans	Predicted (SEA)	Prediction Confidence Score 0.124 Applicability Domain 0.19 Low confidence Statistical Significance 0.9989 Supporting Reference Compounds 825 E-value 7776.36
Click to view 3D structure	Collagenase 3	P45452	Humans	Predicted (SEA)	Prediction Confidence Score 0.124 Applicability Domain 0.19 Low confidence Statistical Significance 0.9963 Supporting Reference Compounds 269 E-value 7756.04
Click to view 3D structure	Matrix metalloproteinase-14	P50281	Humans	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.19 Low confidence Statistical Significance 0.9936 Supporting Reference Compounds 198 E-value 7735.33
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.14 Low confidence Statistical Significance 0.6006 Supporting Reference Compounds 20 E-value 4675.7
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.122 Applicability Domain 0.14 Low confidence Statistical Significance 0.9981 Supporting Reference Compounds 400 E-value 7769.9
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	Prediction Confidence Score 0.122 Applicability Domain 0.132 Low confidence Statistical Significance 0.9868 Supporting Reference Compounds 102 E-value 7681.85
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.129 Low confidence Statistical Significance 0.9991 Supporting Reference Compounds 1660 E-value 7777.76
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.146 Low confidence Statistical Significance 0.9905 Supporting Reference Compounds 151 E-value 7711.28
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.146 Low confidence Statistical Significance 0.9944 Supporting Reference Compounds 193 E-value 7741.02
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.19 Low confidence Statistical Significance 0.9991 Supporting Reference Compounds 793 E-value 7777.76
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.135 Low confidence Statistical Significance 0.9915 Supporting Reference Compounds 117 E-value 7718.59
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.14 Low confidence Statistical Significance 0.9967 Supporting Reference Compounds 258 E-value 7759.31
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.14 Low confidence Statistical Significance 0.9975 Supporting Reference Compounds 292 E-value 7765.54
Click to view 3D structure	D(2) dopamine receptor	P61169	Rat	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.125 Low confidence Statistical Significance 0.9977 Supporting Reference Compounds 528 E-value 7767.25
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.222 Low confidence Statistical Significance 0.9108 Supporting Reference Compounds 472 E-value 7090.82
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.165 Applicability Domain 0.222 Low confidence Statistical Significance 0.8806 Supporting Reference Compounds 407 E-value 6855.71
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.222 Low confidence Statistical Significance 0.9499 Supporting Reference Compounds 242 E-value 7395.29