(1,1,1,5,5,6,6,7,7,7-Decafluorohept-3-yn-2-ylidene)cyclopentane (CED0171961)

Record Information

Version

1.0

Creation Date

2026-04-06 05:56:00 UTC

Update Date

2026-08-27 22:25:17 UTC

SynCED ID

CED0171961

Secondary Accession Numbers

CHEM118473

Identification

Common Name

(1,1,1,5,5,6,6,7,7,7-Decafluorohept-3-yn-2-ylidene)cyclopentane

Class

Small Molecule

Description

(1,1,1,5,5,6,6,7,7,7-Decafluorohept-3-yn-2-ylidene)cyclopentane belongs to the organofluorides, a class of organohalogen compounds within the organic compounds. This compound has the chemical formula C12H8F10 and an average molecular weight of 342.18 g/mol. The substance is found in or released from 13 recorded sources across multiple sectors. In the electrical and electronic equipment sector, it is associated with capacitors, cell phones, batteries, wires and cables, printed circuit boards, and one additional source. Within the textiles, leather and furnishings sector, it is found in carpets, rugs, and synthetic textiles. Other recorded sources include food packaging from the food, food processing and cookware sector, as well as medical devices from the healthcare, pharmaceuticals and veterinary products sector. Additionally, it is utilized as lubricants in both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, along with one other sector. Recorded exposure routes for this compound include oral, inhalation, and touch.

Contaminant Type

PFAS

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₈F₁₀

Average Molecular Mass

342.180 g/mol

Monoisotopic Mass

342.047 g/mol

CAS Registry Number

139226-05-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

FC(F)(F)C(C#CC(F)(F)C(F)(F)C(F)(F)F)=C1CCCC1

InChI Identifier

InChI=1S/C12H8F10/c13-9(14,11(18,19)12(20,21)22)6-5-8(10(15,16)17)7-3-1-2-4-7/h1-4H2

InChI Key

MMHLDEGBUZDZPA-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
1062.0 Log mg/kg [600:1900]	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

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	Estrogen receptor	P03372	Humans	Predicted (SEA)	Prediction Confidence Score 0.153 Applicability Domain 0.184 Low confidence Statistical Significance 0.9423 Supporting Reference Compounds 201 E-value 7335.58
Click to view 3D structure	Anoctamin-2	Q9NQ90	Humans	Predicted (SEA)	Prediction Confidence Score 0.149 Applicability Domain 0.159 Low confidence Statistical Significance 0.1481 Supporting Reference Compounds 2 E-value 1153.02
Click to view 3D structure	Interleukin-17F	Q96PD4	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.159 Low confidence Statistical Significance 0.1108 Supporting Reference Compounds 2 E-value 862.336
Click to view 3D structure	Estrogen receptor beta	Q92731	Humans	Predicted (SEA)	Prediction Confidence Score 0.148 Applicability Domain 0.184 Low confidence Statistical Significance 0.9629 Supporting Reference Compounds 174 E-value 7495.79
Click to view 3D structure	Glutamate receptor 2	P42262	Humans	Predicted (SEA)	Prediction Confidence Score 0.146 Applicability Domain 0.178 Low confidence Statistical Significance 0.5282 Supporting Reference Compounds 41 E-value 4111.92
Click to view 3D structure	4-hydroxyphenylpyruvate dioxygenase	Q02110	Sus scrofa	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.158 Low confidence Statistical Significance 0.0562 Supporting Reference Compounds 2 E-value 437.746
Click to view 3D structure	Nuclear receptor ROR-gamma	P51449	Humans	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.184 Low confidence Statistical Significance 0.9393 Supporting Reference Compounds 102 E-value 7312.22
Click to view 3D structure	Inward rectifier potassium channel 2	P35561	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.14 Applicability Domain 0.14 Low confidence Statistical Significance 0.3514 Supporting Reference Compounds 1 E-value 2735.47
Click to view 3D structure	Cytochrome P450 2C9	P11712	Humans	Predicted (SEA)	Prediction Confidence Score 0.137 Applicability Domain 0.158 Low confidence Statistical Significance 0.9984 Supporting Reference Compounds 1245 E-value 7772.47
Click to view 3D structure	ANK_REP_REGION domain-containing protein	H0VJD1	Cavia porcellus	Predicted (SEA)	Prediction Confidence Score 0.13 Applicability Domain 0.13 Low confidence Statistical Significance 0.2031 Supporting Reference Compounds 1 E-value 1581.43
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.126 Applicability Domain 0.15 Low confidence Statistical Significance 0.9992 Supporting Reference Compounds 1130 E-value 7778.93
Click to view 3D structure	Eukaryotic translation initiation factor 2-alpha kinase 3	Q9Z1Z1	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.125 Applicability Domain 0.125 Low confidence Statistical Significance 0.58 Supporting Reference Compounds 1 E-value 4515.25
Click to view 3D structure	Protein deacetylase HDAC6	Q9UBN7	Humans	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.151 Low confidence Statistical Significance 0.9989 Supporting Reference Compounds 553 E-value 7776.12
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	Prediction Confidence Score 0.123 Applicability Domain 0.158 Low confidence Statistical Significance 0.999 Supporting Reference Compounds 793 E-value 7776.98
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.122 Applicability Domain 0.127 Low confidence Statistical Significance 0.9995 Supporting Reference Compounds 1498 E-value 7780.95
Click to view 3D structure	CG8425-PA [Drosophila melanogaster]	A1ZA98	Drosophila melanogaster	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.152 Low confidence Statistical Significance 0.0449 Supporting Reference Compounds 4 E-value 349.777
Click to view 3D structure	Oxysterols receptor LXR-alpha	Q13133	Humans	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.133 Low confidence Statistical Significance 0.9865 Supporting Reference Compounds 76 E-value 7679.59
Click to view 3D structure	Mitogen-activated protein kinase 8	P45983	Humans	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.143 Low confidence Statistical Significance 0.9982 Supporting Reference Compounds 782 E-value 7770.83
Click to view 3D structure	Neutrophil elastase	P08246	Humans	Predicted (SEA)	Prediction Confidence Score 0.12 Applicability Domain 0.127 Low confidence Statistical Significance 0.9875 Supporting Reference Compounds 81 E-value 7687.61
Click to view 3D structure	Dual specificity protein kinase CLK2	P49760	Humans	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.143 Low confidence Statistical Significance 0.9979 Supporting Reference Compounds 727 E-value 7768.34
Click to view 3D structure	Receptor-type tyrosine-protein kinase FLT3	P36888	Humans	Predicted (SEA)	Prediction Confidence Score 0.119 Applicability Domain 0.143 Low confidence Statistical Significance 0.9991 Supporting Reference Compounds 1274 E-value 7777.68
Click to view 3D structure	Bifunctional epoxide hydrolase 2	P34913	Humans	Predicted (SEA)	Prediction Confidence Score 0.118 Applicability Domain 0.134 Low confidence Statistical Significance 0.9896 Supporting Reference Compounds 93 E-value 7703.73
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.118 Applicability Domain 0.13 Low confidence Statistical Significance 0.9996 Supporting Reference Compounds 955 E-value 7781.5
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.118 Applicability Domain 0.143 Low confidence Statistical Significance 0.9993 Supporting Reference Compounds 1660 E-value 7779.24
Click to view 3D structure	Fatty-acid amide hydrolase 1	O00519	Humans	Predicted (SEA)	Prediction Confidence Score 0.118 Applicability Domain 0.148 Low confidence Statistical Significance 0.9937 Supporting Reference Compounds 106 E-value 7735.72