1-[Di(propan-2-yl)amino]-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol (CED0189485)

Record Information

Version

1.0

Creation Date

2026-04-06 05:39:14 UTC

Update Date

2026-08-19 06:23:05 UTC

SynCED ID

CED0189485

Secondary Accession Numbers

CHEM118254

Identification

Common Name

1-[Di(propan-2-yl)amino]-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol

Class

Small Molecule

Description

1-[Di(propan-2-yl)amino]-3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctan-2-ol belongs to the fluorohydrins, a subclass of halohydrins within the organic compounds. This organic compound has the chemical formula C14H18F13NO and an average molecular weight of 463.28 g/mol. The substance is found in or released from 13 recorded sources across several sectors. In the electrical and electronic equipment sector, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is present in textiles, leather and furnishings, specifically within synthetic textiles as well as carpets and rugs. Other recorded sources include food packaging from the food, food processing and cookware sector, and medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is found in lubricants used in both energy, oil and gas, as well as industrial manufacturing and chemical processing. One further sector is also recorded. Exposure to this compound may occur through inhalation, oral, and touch routes.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₄H₁₈F₁₃NO

Average Molecular Mass

463.283 g/mol

Monoisotopic Mass

463.118 g/mol

CAS Registry Number

125672-20-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC(C)N(CC(O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(C)C

InChI Identifier

InChI=1/C14H18F13NO/c1-6(2)28(7(3)4)5-8(29)9(15,16)10(17,18)11(19,20)12(21,22)13(23,24)14(25,26)27/h6-8,29H,5H2,1-4H3

InChI Key

JUWKOBUPPPSOGZ-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

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
1235.0 Log mg/kg [690:2200]	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	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

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	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.205 Low confidence Statistical Significance 0.0046 Supporting Reference Compounds 6 E-value 35.8885
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.205 Low confidence Statistical Significance 0.2491 Supporting Reference Compounds 55 E-value 1939.22
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.205 Low confidence Statistical Significance 0.1151 Supporting Reference Compounds 20 E-value 896.278
Click to view 3D structure	Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2	O43314	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 1 E-value 15.2584
Click to view 3D structure	Interstitial collagenase	P03956	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.255 Low confidence Statistical Significance 0.8861 Supporting Reference Compounds 258 E-value 6898.06
Click to view 3D structure	72 kDa type IV collagenase	P08253	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.255 Low confidence Statistical Significance 0.927 Supporting Reference Compounds 400 E-value 7216.7
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.163 Applicability Domain 0.255 Low confidence Statistical Significance 0.9235 Supporting Reference Compounds 472 E-value 7189.14
Click to view 3D structure	Neutrophil collagenase	P22894	Humans	Predicted (SEA)	Prediction Confidence Score 0.162 Applicability Domain 0.255 Low confidence Statistical Significance 0.8097 Supporting Reference Compounds 176 E-value 6303.22
Click to view 3D structure	Matrix metalloproteinase-9	P14780	Humans	Predicted (SEA)	Prediction Confidence Score 0.16 Applicability Domain 0.255 Low confidence Statistical Significance 0.9159 Supporting Reference Compounds 292 E-value 7130.52
Click to view 3D structure	Cholesteryl ester transfer protein	P22687	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.159 Low confidence Statistical Significance 0.0509 Supporting Reference Compounds 2 E-value 396.019
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.152 Applicability Domain 0.156 Low confidence Statistical Significance 0.913 Supporting Reference Compounds 106 E-value 7107.63
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	Prediction Confidence Score 0.151 Applicability Domain 0.156 Low confidence Statistical Significance 0.0137 Supporting Reference Compounds 2 E-value 106.576
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.255 Low confidence Statistical Significance 0.9657 Supporting Reference Compounds 407 E-value 7518.21
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.147 Applicability Domain 0.156 Low confidence Statistical Significance 0.5768 Supporting Reference Compounds 40 E-value 4490.58
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.17 Low confidence Statistical Significance 0.997 Supporting Reference Compounds 1498 E-value 7761.49
Click to view 3D structure	Muscarinic acetylcholine receptor M1	P11229	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.17 Low confidence Statistical Significance 0.9901 Supporting Reference Compounds 385 E-value 7707.77
Click to view 3D structure	Muscarinic acetylcholine receptor M3	P20309	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.17 Low confidence Statistical Significance 0.9882 Supporting Reference Compounds 310 E-value 7692.98
Click to view 3D structure	Cryptochrome-1	Q16526	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.145 Low confidence Statistical Significance 0.0876 Supporting Reference Compounds 1 E-value 682.115
Click to view 3D structure	Period circadian protein homolog 2	O15055	Humans	Predicted (SEA)	Prediction Confidence Score 0.145 Applicability Domain 0.145 Low confidence Statistical Significance 0.1136 Supporting Reference Compounds 2 E-value 884.523
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.156 Low confidence Statistical Significance 0.0168 Supporting Reference Compounds 2 E-value 130.942
Click to view 3D structure	Muscarinic acetylcholine receptor M2	P08172	Humans	Predicted (SEA)	Prediction Confidence Score 0.144 Applicability Domain 0.17 Low confidence Statistical Significance 0.9919 Supporting Reference Compounds 373 E-value 7721.86
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.169 Low confidence Statistical Significance 0.9864 Supporting Reference Compounds 258 E-value 7678.81
Click to view 3D structure	Excitatory amino acid transporter 3	P51907	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.143 Low confidence Statistical Significance 0.0296 Supporting Reference Compounds 1 E-value 230.2
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.162 Low confidence Statistical Significance 0.9978 Supporting Reference Compounds 1130 E-value 7767.48
Click to view 3D structure	Cyclin-dependent kinase 2	P24941	Humans	Predicted (SEA)	Prediction Confidence Score 0.142 Applicability Domain 0.156 Low confidence Statistical Significance 0.993 Supporting Reference Compounds 1029 E-value 7730.19