(2Z)‐3-Fluoro-3-(perfluoropropyl)-2-propenal (CED0186188)

Record Information

Version

1.0

Creation Date

2026-03-31 20:00:22 UTC

Update Date

2026-08-23 08:26:49 UTC

SynCED ID

CED0186188

Secondary Accession Numbers

CHEM057575

Identification

Common Name

(2Z)‐3-Fluoro-3-(perfluoropropyl)-2-propenal

Class

Small Molecule

Description

(2Z)‐3-Fluoro-3-(perfluoropropyl)-2-propenal belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This compound has the chemical formula C6H2F8O1 and an average molecular weight of 242.07 g/mol. The substance is found in or released from 13 recorded sources across several sectors. Within electrical and electronic equipment, it is associated with cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. It is present in food packaging under the food, food processing and cookware sector, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector. In the textiles, leather and furnishings sector, it is found in synthetic textiles as well as carpets and rugs. Additionally, the compound is used as lubricants in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, among one other sector. Recorded exposure routes for this compound include inhalation, oral, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₆H₂F₈O₁

Average Molecular Mass

242.068 g/mol

Monoisotopic Mass

241.998 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

F\C(=C/C=O)C(F)(F)C(F)(F)C(F)(F)F

InChI Identifier

InChI=1S/C6H2F8O/c7-3(1-2-15)4(8,9)5(10,11)6(12,13)14/h1-2H/b3-1-

InChI Key

HFHWKEZNQKNBEL-IWQZZHSRSA-N

Chemical Taxonomy

Description

Belongs to the class of organic compounds known as enals. These are an alpha,beta-unsaturated aldehyde of general formula RC=C-CH=O in which the aldehydic C=O function is conjugated to a C=C triple bond at the alpha,beta position.

Kingdom

Organic compounds

Super Class

Organic oxygen compounds

Class

Organooxygen compounds

Sub Class

Carbonyl compounds

Direct Parent

Enals

Alternative Parents

Substituents

Vinylogous halide
Enal
Fluoroalkene
Haloalkene
Vinyl halide
Vinyl fluoride
Organic oxide
Hydrocarbon derivative
Organofluoride
Organohalogen compound
Alkyl halide
Alkyl fluoride
Aldehyde
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
805.0 Log mg/kg [450:1400]	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	Histone deacetylase-like amidohydrolase	Q70I53	Alcaligenes sp. (strain DSM 11172)	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.167 Low confidence Statistical Significance 0.2458 Supporting Reference Compounds 11 E-value 1913.92
Click to view 3D structure	Esterase	A3QR02	Chilo suppressalis	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.146 Low confidence Statistical Significance 0.008 Supporting Reference Compounds 1 E-value 62.0458
Click to view 3D structure	Acetylpolyamine amidohydrolase	Q48935	Mycoplana ramosa	Predicted (SEA)	Prediction Confidence Score 0.143 Applicability Domain 0.143 Low confidence Statistical Significance 0.0119 Supporting Reference Compounds 1 E-value 92.3292
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.146 Low confidence Statistical Significance 0.679 Supporting Reference Compounds 55 E-value 5286.2
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	Prediction Confidence Score 0.138 Applicability Domain 0.188 Low confidence Statistical Significance 0.9473 Supporting Reference Compounds 102 E-value 7375.05
Click to view 3D structure	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.136 Applicability Domain 0.136 Low confidence Statistical Significance 0.3794 Supporting Reference Compounds 1 E-value 2953.52
Click to view 3D structure	Phosphoglycerate kinase	P00560	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.135 Low confidence Statistical Significance 0.0038 Supporting Reference Compounds 1 E-value 29.972
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.146 Low confidence Statistical Significance 0.4358 Supporting Reference Compounds 20 E-value 3392.67
Click to view 3D structure	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.135 Applicability Domain 0.146 Low confidence Statistical Significance 0.022 Supporting Reference Compounds 6 E-value 171.58
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.132 Applicability Domain 0.14 Low confidence Statistical Significance 0.9772 Supporting Reference Compounds 106 E-value 7607.19
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.131 Applicability Domain 0.146 Low confidence Statistical Significance 0.998 Supporting Reference Compounds 553 E-value 7769.74
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	Prediction Confidence Score 0.13 Applicability Domain 0.139 Low confidence Statistical Significance 0.0261 Supporting Reference Compounds 2 E-value 203.42
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.139 Low confidence Statistical Significance 0.823 Supporting Reference Compounds 40 E-value 6407.07
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.127 Applicability Domain 0.139 Low confidence Statistical Significance 0.0321 Supporting Reference Compounds 4 E-value 249.74
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.124 Applicability Domain 0.148 Low confidence Statistical Significance 0.9982 Supporting Reference Compounds 472 E-value 7771.3
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.125 Low confidence Statistical Significance 0.0384 Supporting Reference Compounds 2 E-value 298.941
Click to view 3D structure	Holo-[acyl-carrier-protein] synthase	P96618	Bacillus subtilis (strain 168)	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.123 Low confidence Statistical Significance 0.2843 Supporting Reference Compounds 1 E-value 2213.41
Click to view 3D structure	Cell division protein FtsZ	P17865	Bacillus subtilis (strain 168)	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.123 Low confidence Statistical Significance 0.1395 Supporting Reference Compounds 1 E-value 1085.84
Click to view 3D structure	Oxysterols receptor LXR-alpha	Q13133	Humans	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.13 Low confidence Statistical Significance 0.9831 Supporting Reference Compounds 76 E-value 7653.2
Click to view 3D structure	Histone deacetylase 7	Q8WUI4	Humans	Predicted (SEA)	Prediction Confidence Score 0.122 Applicability Domain 0.149 Low confidence Statistical Significance 0.9939 Supporting Reference Compounds 148 E-value 7737.12
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	Prediction Confidence Score 0.121 Applicability Domain 0.149 Low confidence Statistical Significance 0.9979 Supporting Reference Compounds 317 E-value 7768.5
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.148 Low confidence Statistical Significance 0.9981 Supporting Reference Compounds 407 E-value 7770.36
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.188 Low confidence Statistical Significance 0.9967 Supporting Reference Compounds 174 E-value 7759.47
Click to view 3D structure	Malonyl-CoA decarboxylase, mitochondrial	Q99J39	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.119 Low confidence Statistical Significance 0.5611 Supporting Reference Compounds 1 E-value 4367.96
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.188 Low confidence Statistical Significance 0.9969 Supporting Reference Compounds 201 E-value 7760.94