(1Z)-1,3,4,4,4-Pentafluoro-3-(trifluoromethyl)but-1-ene (CED0113731)

Record Information

Version

1.0

Creation Date

2026-04-06 07:25:25 UTC

Update Date

2026-09-01 07:57:46 UTC

SynCED ID

CED0113731

Secondary Accession Numbers

CHEM119886

Identification

Common Name

(1Z)-1,3,4,4,4-Pentafluoro-3-(trifluoromethyl)but-1-ene

Class

Small Molecule

Description

(1Z)-1,3,4,4,4-Pentafluoro-3-(trifluoromethyl)but-1-ene is an organic compound with the chemical formula C5H2F8 and an average molecular weight of 214.06 g/mol. (1Z)-1,3,4,4,4-Pentafluoro-3-(trifluoromethyl)but-1-ene belongs to the vinyl fluorides, a subclass of vinyl halides within the organic compounds. The compound 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, batteries, wires and cables, and one additional source. It is found in food packaging within the food, food processing and cookware sector, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector. In the energy, oil and gas and industrial manufacturing and chemical processing sectors, it is utilized in lubricants. Additionally, it is found in textiles, leather and furnishings, specifically in carpets, rugs, and synthetic textiles, as well as one other sector. Recorded exposure routes for this substance include oral, touch, and inhalation.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₅H₂F₈

Average Molecular Mass

214.058 g/mol

Monoisotopic Mass

214.003 g/mol

CAS Registry Number

14318-61-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

FC=C/C(F)(C(F)(F)F)C(F)(F)F

InChI Identifier

InChI=1S/C5H2F8/c6-2-1-3(7,4(8,9)10)5(11,12)13/h1-2H/b2-1-

InChI Key

SKQJYUPAFGVYKS-UPHRSURJSA-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
807.0 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
CEDs000667	Gaseous Fire Fighting?Gaseous fire fighting systems utilize synthetic chemicals, such as halocarbons and inert gases, to suppress fires through chemical and physical processes.	Fire suppression systems & agents	Not Available
CEDs000669	PFAS Fire Fighting Foam?PFAS fire fighting foam refers to a class of synthetic foams containing per- and polyfluoroalkyl substances (PFAS), which are designed to suppress flammable liquid fires.	Fire suppression systems & agents	Not Available
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	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	Esterase	A3QR02	Chilo suppressalis	Predicted (SEA)	Prediction Confidence Score 0.111 Applicability Domain 0.111 Low confidence Statistical Significance 0.0522 Supporting Reference Compounds 1 E-value 406.295
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.143 Low confidence Statistical Significance 0.9997 Supporting Reference Compounds 472 E-value 7782.9
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.143 Low confidence Statistical Significance 0.9997 Supporting Reference Compounds 407 E-value 7782.35
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.105 Applicability Domain 0.111 Low confidence Statistical Significance 0.9685 Supporting Reference Compounds 55 E-value 7540.01
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.101 Applicability Domain 0.111 Low confidence Statistical Significance 0.8378 Supporting Reference Compounds 20 E-value 6522.36
Click to view 3D structure	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.098 Applicability Domain 0.111 Low confidence Statistical Significance 0.1535 Supporting Reference Compounds 6 E-value 1195.22
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.098 Applicability Domain 0.108 Low confidence Statistical Significance 0.9989 Supporting Reference Compounds 106 E-value 7776.51
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	Prediction Confidence Score 0.098 Applicability Domain 0.148 Low confidence Statistical Significance 0.9984 Supporting Reference Compounds 102 E-value 7772.31
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.095 Applicability Domain 0.125 Low confidence Statistical Significance 0.9999 Supporting Reference Compounds 372 E-value 7784.07
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.095 Applicability Domain 0.125 Low confidence Statistical Significance 0.9995 Supporting Reference Compounds 165 E-value 7781.34
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.094 Applicability Domain 0.108 Low confidence Statistical Significance 0.9916 Supporting Reference Compounds 40 E-value 7719.3
Click to view 3D structure	Phosphoglycerate kinase	P00560	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.094 Applicability Domain 0.094 Low confidence Statistical Significance 0.0639 Supporting Reference Compounds 1 E-value 497.846
Click to view 3D structure	Amine oxidase [flavin-containing] B	P27338	Humans	Predicted (SEA)	Prediction Confidence Score 0.092 Applicability Domain 0.103 Low confidence Statistical Significance 0.9997 Supporting Reference Compounds 315 E-value 7782.66
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.091 Applicability Domain 0.143 Low confidence Statistical Significance 0.9998 Supporting Reference Compounds 242 E-value 7783.6
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	Prediction Confidence Score 0.09 Applicability Domain 0.097 Low confidence Statistical Significance 0.1745 Supporting Reference Compounds 2 E-value 1358.24
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.089 Applicability Domain 0.148 Low confidence Statistical Significance 0.9998 Supporting Reference Compounds 201 E-value 7783.68
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	Prediction Confidence Score 0.089 Applicability Domain 0.148 Low confidence Statistical Significance 0.9998 Supporting Reference Compounds 174 E-value 7783.21
Click to view 3D structure	Fatty-acid amide hydrolase 1	P97612	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.088 Applicability Domain 0.105 Low confidence Statistical Significance 0.9994 Supporting Reference Compounds 102 E-value 7780.64
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.087 Applicability Domain 0.097 Low confidence Statistical Significance 0.2225 Supporting Reference Compounds 4 E-value 1732.3
Click to view 3D structure	Oxysterols receptor LXR-alpha	Q13133	Humans	Predicted (SEA)	Prediction Confidence Score 0.086 Applicability Domain 0.091 Low confidence Statistical Significance 0.9994 Supporting Reference Compounds 76 E-value 7780.17
Click to view 3D structure	Receptor-type tyrosine-protein phosphatase zeta	P23471	Humans	Predicted (SEA)	Prediction Confidence Score 0.085 Applicability Domain 0.091 Low confidence Statistical Significance 0.4452 Supporting Reference Compounds 2 E-value 3466.16
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.085 Applicability Domain 0.086 Low confidence Statistical Significance 0.2619 Supporting Reference Compounds 2 E-value 2039.18
Click to view 3D structure	Oxysterols receptor LXR-beta	P55055	Humans	Predicted (SEA)	Prediction Confidence Score 0.084 Applicability Domain 0.091 Low confidence Statistical Significance 0.999 Supporting Reference Compounds 65 E-value 7777.29
Click to view 3D structure	Amine oxidase [flavin-containing] A	P21397	Humans	Predicted (SEA)	Prediction Confidence Score 0.083 Applicability Domain 0.091 Low confidence Statistical Significance 0.9999 Supporting Reference Compounds 241 E-value 7783.99
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.082 Applicability Domain 0.086 Low confidence Statistical Significance 0.9999 Supporting Reference Compounds 823 E-value 7784.38