1,1,2,3,3,4,5,5,5-Nonafluoro-4-(trifluoromethyl)pent-1-ene (CED0191835)

Record Information
Version1.0
Creation Date2026-04-06 05:57:59 UTC
Update Date2026-08-23 03:22:48 UTC
SynCED IDCED0191835
Secondary Accession Numbers
  • CHEM118515
Identification
Common Name1,1,2,3,3,4,5,5,5-Nonafluoro-4-(trifluoromethyl)pent-1-ene
ClassSmall Molecule
Description
1,1,2,3,3,4,5,5,5-Nonafluoro-4-(trifluoromethyl)pent-1-ene is an organic compound with the formula C6F12 and an average molecular weight of 300.05 g/mol. 1,1,2,3,3,4,5,5,5-Nonafluoro-4-(trifluoromethyl)pent-1-ene belongs to the vinyl fluorides, a subclass of vinyl halides within the organic compounds. This substance has been found in or released from 13 recorded sources across multiple sectors. Within electrical and electronic equipment, it is associated with cell phones, capacitors, wires and cables, batteries, and printed circuit boards, among one other source. It is also found in textiles, leather and furnishings, specifically in synthetic textiles and carpets and rugs. In the healthcare, pharmaceuticals and veterinary products sector, it is linked to medical devices, while in food, food processing and cookware, it is found in food packaging. Additionally, the compound is utilized as lubricants in both energy, oil and gas, as well as industrial manufacturing and chemical processing sectors. One other sector is also recorded as a source. Exposure to this compound can occur through inhalation, oral, and touch routes.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC6F12
Average Molecular Mass300.047 g/mol
Monoisotopic Mass299.981 g/mol
CAS Registry Number287101-12-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESFC(F)=C(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChI IdentifierInChI=1S/C6F12/c7-1(2(8)9)3(10,11)4(12,5(13,14)15)6(16,17)18
InChI KeyZJXHFKZMJPKCSL-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
595.0 Log mg/kg [330:1100]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000007Pesticides?Pesticides are synthetic chemicals designed to prevent, destroy, or control pests that threaten crops and agricultural productivity.Agriculture & land managementNot Available
CEDs000120Wires and cables?Wires and cables are integral components in the transmission of electrical power and signals.Electrical & Electronic EquipmentNot Available
CEDs000121Printed 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 EquipmentNot Available
CEDs000125Batteries?Batteries are devices that store and release electrical energy through electrochemical reactions.Electrical & Electronic EquipmentNot Available
CEDs000130Semiconductors?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 EquipmentNot Available
CEDs000138Lubricants?Lubricants are synthetic or petroleum-derived substances used to reduce friction between surfaces in machinery and equipment, enhancing operational efficiency and longevity.Energy, oil & gasNot Available
CEDs000147Food packaging?Food packaging often utilizes synthetic chemicals, such as plastics and coatings, to enhance durability, moisture resistance, and shelf life.Food, food processing & cookwareNot Available
CEDs000174Lubricants?Lubricants are synthetic or petroleum-based substances used to reduce friction and wear between moving parts in machinery and equipment.Industrial manufacturing & chemical processingNot Available
CEDs000234Medical devices?Medical devices often incorporate synthetic chemicals in their manufacturing processes, which can contribute to contamination in healthcare settings.Healthcare, pharmaceuticals & veterinary productsNot Available
CEDs000451Carpets 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 & furnishingsNot Available
CEDs000454Synthetic 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 & furnishingsNot Available
CEDs000490Personal care & cosmeticsNot Available
CEDs000492Cell phones?Cell phones contain a variety of synthetic chemicals and materials, including plastics, metals, and glass, which can contribute to environmental contamination.Electrical & Electronic EquipmentNot Available
CEDs000493Capacitors?Capacitors are electronic components that store and release electrical energy, often using dielectric materials that can include synthetic chemicals.Electrical & Electronic EquipmentNot Available
CEDs000519Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.Electrical & Electronic EquipmentPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)
Prediction Confidence Score
0.127
Applicability Domain
0.135 Low confidence
Statistical Significance
0.8308
Supporting Reference Compounds
55
E-value
6467.87
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.122
Applicability Domain
0.135 Low confidence
Statistical Significance
0.0419
Supporting Reference Compounds
6
E-value
326.422
Liver carboxylesterase structureClick to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)
Prediction Confidence Score
0.122
Applicability Domain
0.135 Low confidence
Statistical Significance
0.606
Supporting Reference Compounds
20
E-value
4717.51
Phosphoglycerate kinase structureClick to view 3D structurePhosphoglycerate kinaseP00560Saccharomyces cerevisiae S288cPredicted (SEA)
Prediction Confidence Score
0.121
Applicability Domain
0.121 Low confidence
Statistical Significance
0.0092
Supporting Reference Compounds
1
E-value
71.5434
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)
Prediction Confidence Score
0.117
Applicability Domain
0.179 Low confidence
Statistical Significance
0.9907
Supporting Reference Compounds
102
E-value
7712.68
Juvenile hormone esterase structureClick to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)
Prediction Confidence Score
0.117
Applicability Domain
0.125 Low confidence
Statistical Significance
0.0477
Supporting Reference Compounds
2
E-value
371.73
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)
Prediction Confidence Score
0.115
Applicability Domain
0.125 Low confidence
Statistical Significance
0.9303
Supporting Reference Compounds
40
E-value
7242.62
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)
Prediction Confidence Score
0.115
Applicability Domain
0.125 Low confidence
Statistical Significance
0.9952
Supporting Reference Compounds
106
E-value
7747.87
Click to view 3D structureANK_REP_REGION domain-containing proteinH0VJD1Cavia porcellusPredicted (SEA)
Prediction Confidence Score
0.114
Applicability Domain
0.114 Low confidence
Statistical Significance
0.3476
Supporting Reference Compounds
1
E-value
2705.81
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)
Prediction Confidence Score
0.113
Applicability Domain
0.125 Low confidence
Statistical Significance
0.0627
Supporting Reference Compounds
4
E-value
487.959
Histone deacetylase-like amidohydrolase structureClick to view 3D structureHistone deacetylase-like amidohydrolaseQ70I53Alcaligenes sp. (strain DSM 11172)Predicted (SEA)
Prediction Confidence Score
0.113
Applicability Domain
0.128 Low confidence
Statistical Significance
0.6813
Supporting Reference Compounds
11
E-value
5303.71
Acylcarnitine hydrolase structureClick to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)
Prediction Confidence Score
0.11
Applicability Domain
0.111 Low confidence
Statistical Significance
0.0773
Supporting Reference Compounds
2
E-value
602.164
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)
Prediction Confidence Score
0.107
Applicability Domain
0.114 Low confidence
Statistical Significance
0.9995
Supporting Reference Compounds
553
E-value
7780.95
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)
Prediction Confidence Score
0.105
Applicability Domain
0.105 Low confidence
Statistical Significance
0.0719
Supporting Reference Compounds
1
E-value
559.58
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)
Prediction Confidence Score
0.105
Applicability Domain
0.179 Low confidence
Statistical Significance
0.9992
Supporting Reference Compounds
201
E-value
7778.62
Oxysterols receptor LXR-alpha structureClick to view 3D structureOxysterols receptor LXR-alphaQ13133HumansPredicted (SEA)
Prediction Confidence Score
0.105
Applicability Domain
0.111 Low confidence
Statistical Significance
0.9961
Supporting Reference Compounds
76
E-value
7754.25
Oxysterols receptor LXR-beta structureClick to view 3D structureOxysterols receptor LXR-betaP55055HumansPredicted (SEA)
Prediction Confidence Score
0.103
Applicability Domain
0.111 Low confidence
Statistical Significance
0.9953
Supporting Reference Compounds
65
E-value
7748.72
Acetylpolyamine amidohydrolase structureClick to view 3D structureAcetylpolyamine amidohydrolaseQ48935Mycoplana ramosaPredicted (SEA)
Prediction Confidence Score
0.103
Applicability Domain
0.103 Low confidence
Statistical Significance
0.0947
Supporting Reference Compounds
1
E-value
736.921
Fatty-acid amide hydrolase 1 structureClick to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.102
Applicability Domain
0.133 Low confidence
Statistical Significance
0.9982
Supporting Reference Compounds
102
E-value
7770.75
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)
Prediction Confidence Score
0.101
Applicability Domain
0.114 Low confidence
Statistical Significance
0.9986
Supporting Reference Compounds
119
E-value
7773.87
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.101
Applicability Domain
0.13 Low confidence
Statistical Significance
0.9999
Supporting Reference Compounds
472
E-value
7783.99
Malonyl-CoA decarboxylase, mitochondrial structureClick to view 3D structureMalonyl-CoA decarboxylase, mitochondrialO95822HumansPredicted (SEA)
Prediction Confidence Score
0.099
Applicability Domain
0.114 Low confidence
Statistical Significance
0.6652
Supporting Reference Compounds
4
E-value
5178.37
Nuclear receptor ROR-alpha structureClick to view 3D structureNuclear receptor ROR-alphaP35398HumansPredicted (SEA)
Prediction Confidence Score
0.098
Applicability Domain
0.106 Low confidence
Statistical Significance
0.9952
Supporting Reference Compounds
41
E-value
7747.4
Inward rectifier potassium channel 2 structureClick to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)
Prediction Confidence Score
0.098
Applicability Domain
0.098 Low confidence
Statistical Significance
0.7599
Supporting Reference Compounds
1
E-value
5916.0
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)
Prediction Confidence Score
0.097
Applicability Domain
0.179 Low confidence
Statistical Significance
0.9996
Supporting Reference Compounds
174
E-value
7782.12
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available