[3,3,4,4,5,6,6,6-Octafluoro-5-(trifluoromethyl)hexyl] Prop-2-enoate (CED0158860)

Record Information

Version

1.0

Creation Date

2026-04-06 07:13:08 UTC

Update Date

2026-08-18 04:30:56 UTC

SynCED ID

CED0158860

Secondary Accession Numbers

CHEM119725

Identification

Common Name

[3,3,4,4,5,6,6,6-Octafluoro-5-(trifluoromethyl)hexyl] Prop-2-enoate

Class

Small Molecule

Description

[3,3,4,4,5,6,6,6-Octafluoro-5-(trifluoromethyl)hexyl] Prop-2-enoate belongs to the acrylic acids and derivatives, a subclass of carboxylic acids and derivatives within the organic compounds. This compound has the chemical formula C10H7F11O2 and an average molecular weight of 368.15 g/mol. The compound is associated with 13 recorded sources across multiple sectors. Within electrical and electronic equipment, it is found in cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. It is present in textiles, leather and furnishings, specifically in synthetic textiles as well as carpets and rugs. Other sources include food packaging from the food, food processing and cookware sector, and medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, it is used as a lubricant within the energy, oil and gas sector as well as the industrial manufacturing and chemical processing sector, along with one other sector. Recorded routes of exposure for this substance include inhalation, oral, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₇F₁₁O₂

Average Molecular Mass

368.146 g/mol

Monoisotopic Mass

368.027 g/mol

CAS Registry Number

86217-01-8

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

FC(F)(F)C(F)(C(F)(F)F)C(F)(F)C(F)(F)CCOC(=O)C=C

InChI Identifier

InChI=1S/C10H7F11O2/c1-2-5(22)23-4-3-6(11,12)8(14,15)7(13,9(16,17)18)10(19,20)21/h2H,1,3-4H2

InChI Key

UXVXKXDSDYDRTQ-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
620.0 Log mg/kg [350:1100]	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
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
CEDs000643	Headwear?Headwear made from synthetic materials often incorporates chemicals used in the manufacturing and finishing processes, such as dyes, flame retardants, and water repellents.	Textiles, leather & furnishings	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
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	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 0.193 Applicability Domain 0.224 Low confidence Statistical Significance 0.5983 Supporting Reference Compounds 372 E-value 4658.03
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.224 Low confidence Statistical Significance 0.4991 Supporting Reference Compounds 242 E-value 3885.38
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.224 Low confidence Statistical Significance 0.3458 Supporting Reference Compounds 151 E-value 2691.95
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.224 Low confidence Statistical Significance 0.3986 Supporting Reference Compounds 172 E-value 3102.99
Click to view 3D structure	Carbonic anhydrase 5B, mitochondrial	Q9Y2D0	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.224 Low confidence Statistical Significance 0.3209 Supporting Reference Compounds 157 E-value 2498.1
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.224 Low confidence Statistical Significance 0.3831 Supporting Reference Compounds 165 E-value 2982.17
Click to view 3D structure	Phosphoglycerate kinase	P00560	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.186 Low confidence Statistical Significance 3.60e-04 Supporting Reference Compounds 1 E-value 2.80257
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.224 Low confidence Statistical Significance 0.7128 Supporting Reference Compounds 407 E-value 5549.01
Click to view 3D structure	Transcriptional enhancer factor TEF-5	Q99594	Humans	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.196 Low confidence Statistical Significance 0.0588 Supporting Reference Compounds 3 E-value 457.52
Click to view 3D structure	Aldo-keto reductase family 1 member B10	O60218	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.212 Low confidence Statistical Significance 0.2409 Supporting Reference Compounds 49 E-value 1875.7
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	Prediction Confidence Score 0.178 Applicability Domain 0.212 Low confidence Statistical Significance 0.3779 Supporting Reference Compounds 84 E-value 2941.84
Click to view 3D structure	Carbonic anhydrase 13	Q9D6N1	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.183 Low confidence Statistical Significance 0.3039 Supporting Reference Compounds 70 E-value 2366.23
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.173 Applicability Domain 0.2 Low confidence Statistical Significance 0.0075 Supporting Reference Compounds 2 E-value 58.6983
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.169 Applicability Domain 0.212 Low confidence Statistical Significance 0.8589 Supporting Reference Compounds 315 E-value 6686.39
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.168 Applicability Domain 0.2 Low confidence Statistical Significance 0.2807 Supporting Reference Compounds 40 E-value 2185.46
Click to view 3D structure	Succinate-semialdehyde dehydrogenase, mitochondrial	P51649	Humans	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 0.0133 Supporting Reference Compounds 1 E-value 103.228
Click to view 3D structure	Esterase	A3QR02	Chilo suppressalis	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 0.0032 Supporting Reference Compounds 1 E-value 25.1453
Click to view 3D structure	17-beta-hydroxysteroid-dehydrogenase	O93874	Cochliobolus lunatus	Predicted (SEA)	Prediction Confidence Score 0.167 Applicability Domain 0.167 Low confidence Statistical Significance 0.0573 Supporting Reference Compounds 1 E-value 446.387
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.166 Applicability Domain 0.2 Low confidence Statistical Significance 0.1272 Supporting Reference Compounds 20 E-value 990.164
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.2 Low confidence Statistical Significance 0.9851 Supporting Reference Compounds 1301 E-value 7668.62
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.164 Applicability Domain 0.2 Low confidence Statistical Significance 0.0098 Supporting Reference Compounds 4 E-value 76.4479
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.163 Low confidence Statistical Significance 0.4326 Supporting Reference Compounds 55 E-value 3368.15
Click to view 3D structure	Sphingosine-1-phosphate lyase 1	Q8CHN6	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.158 Low confidence Statistical Significance 0.0069 Supporting Reference Compounds 1 E-value 53.5603
Click to view 3D structure	Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2	O43314	Humans	Predicted (SEA)	Prediction Confidence Score 0.158 Applicability Domain 0.158 Low confidence Statistical Significance 0.0038 Supporting Reference Compounds 1 E-value 29.2713
Click to view 3D structure	Acetylcholinesterase	P22303	Humans	Predicted (SEA)	Prediction Confidence Score 0.157 Applicability Domain 0.162 Low confidence Statistical Significance 0.9705 Supporting Reference Compounds 406 E-value 7555.19