3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-iodooct-1-ene (CED0191368)

Record Information

Version

1.0

Creation Date

2026-04-06 06:29:46 UTC

Update Date

2026-05-21 06:28:08 UTC

SynCED ID

CED0191368

Secondary Accession Numbers

CHEM119026

Identification

Common Name

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-iodooct-1-ene

Class

Small Molecule

Description

3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-iodooct-1-ene is an organic compound with the chemical formula C8H2F13I and an average molecular weight of 471.99 g/mol. 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-iodooct-1-ene belongs to the vinyl iodides, a subclass of vinyl halides within the organic compounds. This compound is associated with 13 recorded sources across several sectors. Within electrical and electronic equipment, it is found in cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also present in textiles, leather and furnishings, specifically in carpets, rugs, and synthetic textiles. In the energy, oil and gas sector as well as industrial manufacturing and chemical processing, the compound is found in lubricants. Additional sources include food packaging from the food, food processing and cookware sector, and medical devices from the healthcare, pharmaceuticals and veterinary products sector, along with one further sector. Recorded exposure routes for this substance include inhalation, oral ingestion, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₂F₁₃I

Average Molecular Mass

471.988 g/mol

Monoisotopic Mass

471.899 g/mol

CAS Registry Number

Not Available

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=CI

InChI Identifier

InChI=1S/C8H2F13I/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H

InChI Key

WDWNMIBWWPZNJK-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
2122.0 Log mg/kg [1200:3800]	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
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	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	Histone deacetylase-like amidohydrolase	Q70I53	Alcaligenes sp. (strain DSM 11172)	Predicted (SEA)	Prediction Confidence Score 0.129 Applicability Domain 0.146 Low confidence Statistical Significance 0.4562 Supporting Reference Compounds 11 E-value 3551.4
Click to view 3D structure	Esterase	A3QR02	Chilo suppressalis	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.125 Low confidence Statistical Significance 0.023 Supporting Reference Compounds 1 E-value 178.82
Click to view 3D structure	Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2	O43314	Humans	Predicted (SEA)	Prediction Confidence Score 0.122 Applicability Domain 0.122 Low confidence Statistical Significance 0.0505 Supporting Reference Compounds 1 E-value 392.905
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.113 Applicability Domain 0.128 Low confidence Statistical Significance 0.9993 Supporting Reference Compounds 553 E-value 7779.24
Click to view 3D structure	Phosphoglycerate kinase	P00560	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.111 Applicability Domain 0.111 Low confidence Statistical Significance 0.0193 Supporting Reference Compounds 1 E-value 150.483
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.11 Applicability Domain 0.119 Low confidence Statistical Significance 0.9969 Supporting Reference Compounds 106 E-value 7760.94
Click to view 3D structure	Juvenile hormone esterase	Q9GPG0	Manduca sexta	Predicted (SEA)	Prediction Confidence Score 0.107 Applicability Domain 0.114 Low confidence Statistical Significance 0.0759 Supporting Reference Compounds 2 E-value 590.876
Click to view 3D structure	Liver carboxylesterase 1	P23141	Humans	Predicted (SEA)	Prediction Confidence Score 0.107 Applicability Domain 0.114 Low confidence Statistical Significance 0.9627 Supporting Reference Compounds 55 E-value 7494.23
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.132 Low confidence Statistical Significance 0.9991 Supporting Reference Compounds 174 E-value 7778.07
Click to view 3D structure	Cocaine esterase	O00748	Humans	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.114 Low confidence Statistical Significance 0.9683 Supporting Reference Compounds 40 E-value 7537.98
Click to view 3D structure	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.106 Applicability Domain 0.132 Low confidence Statistical Significance 0.9991 Supporting Reference Compounds 201 E-value 7777.99
Click to view 3D structure	Liver carboxylesterase	Q29550	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.104 Applicability Domain 0.114 Low confidence Statistical Significance 0.8101 Supporting Reference Compounds 20 E-value 6306.72
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.104 Applicability Domain 0.114 Low confidence Statistical Significance 0.0984 Supporting Reference Compounds 4 E-value 766.348
Click to view 3D structure	Ryanodien receptor	H9CNL0	Spodoptera exigua	Predicted (SEA)	Prediction Confidence Score 0.102 Applicability Domain 0.102 Low confidence Statistical Significance 0.6896 Supporting Reference Compounds 1 E-value 5368.48
Click to view 3D structure	Acylcarnitine hydrolase	Q91WG0	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.101 Applicability Domain 0.103 Low confidence Statistical Significance 0.1189 Supporting Reference Compounds 2 E-value 925.705
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.101 Applicability Domain 0.151 Low confidence Statistical Significance 0.9999 Supporting Reference Compounds 472 E-value 7783.91
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.101 Applicability Domain 0.151 Low confidence Statistical Significance 0.9998 Supporting Reference Compounds 407 E-value 7783.68
Click to view 3D structure	Histone deacetylase 7	Q8WUI4	Humans	Predicted (SEA)	Prediction Confidence Score 0.1 Applicability Domain 0.13 Low confidence Statistical Significance 0.9988 Supporting Reference Compounds 148 E-value 7775.81
Click to view 3D structure	Histone deacetylase 8	Q9BY41	Humans	Predicted (SEA)	Prediction Confidence Score 0.099 Applicability Domain 0.13 Low confidence Statistical Significance 0.9994 Supporting Reference Compounds 317 E-value 7780.64
Click to view 3D structure	Liver carboxylesterase B-1	Q63010	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.099 Applicability Domain 0.1 Low confidence Statistical Significance 0.1479 Supporting Reference Compounds 6 E-value 1151.08
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.098 Applicability Domain 0.115 Low confidence Statistical Significance 0.9996 Supporting Reference Compounds 242 E-value 7781.73
Click to view 3D structure	Glucocorticoid receptor	P04150	Humans	Predicted (SEA)	Prediction Confidence Score 0.096 Applicability Domain 0.099 Low confidence Statistical Significance 0.9992 Supporting Reference Compounds 154 E-value 7779.08
Click to view 3D structure	Cytochrome P450 3A4	P08684	Humans	Predicted (SEA)	Prediction Confidence Score 0.096 Applicability Domain 0.102 Low confidence Statistical Significance 0.9999 Supporting Reference Compounds 1538 E-value 7784.22
Click to view 3D structure	Acetylpolyamine amidohydrolase	Q48935	Mycoplana ramosa	Predicted (SEA)	Prediction Confidence Score 0.095 Applicability Domain 0.095 Low confidence Statistical Significance 0.1392 Supporting Reference Compounds 1 E-value 1083.89
Click to view 3D structure	Histone deacetylase 1	Q13547	Humans	Predicted (SEA)	Prediction Confidence Score 0.095 Applicability Domain 0.13 Low confidence Statistical Significance 0.9997 Supporting Reference Compounds 497 E-value 7782.66