(1E)-1,2,3,4,4,4-Hexafluoro-1-iodo-3-(trifluoromethyl)but-1-ene (CED0084846)

Record Information
Version1.0
Creation Date2026-04-06 05:41:25 UTC
Update Date2026-05-21 04:40:20 UTC
Accession NumberCHEM118289
Identification
Common Name(1E)-1,2,3,4,4,4-Hexafluoro-1-iodo-3-(trifluoromethyl)but-1-ene
ClassSmall Molecule
Description
(1E)-1,2,3,4,4,4-Hexafluoro-1-iodo-3-(trifluoromethyl)but-1-ene belongs to the vinyl iodides, a subclass of vinyl halides within the organic compounds. This organohalogen compound has the chemical formula C5F9I and an average molecular weight of 357.94 g/mol. The compound 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, printed circuit boards, batteries, wires and cables, and one additional source. Within the textiles, leather and furnishings sector, it is linked to synthetic textiles as well as carpets and rugs. Other recorded sources include lubricants from both the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, medical devices from the healthcare, pharmaceuticals and veterinary products sector, and food packaging from the food, food processing and cookware sector, along with one further sector. Recorded routes of exposure for this substance include inhalation, oral intake, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC5F9I
Average Molecular Mass357.945 g/mol
Monoisotopic Mass357.890 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESFC(I)=C(/F)C(F)(C(F)(F)F)C(F)(F)F
InChI IdentifierInChI=1S/C5F9I/c6-1(2(7)15)3(8,4(9,10)11)5(12,13)14/b2-1+
InChI KeyKVLZYXPNBHIUMY-OWOJBTEDSA-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
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
1496.0Log mg/kg[840:2700]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
7PesticidesAgriculture & land managementNot Available
120Wires and cablesElectrical & Electronic EquipmentNot Available
121Printed circuit boardsElectrical & Electronic EquipmentNot Available
125BatteriesElectrical & Electronic EquipmentNot Available
130SemiconductorsElectrical & Electronic EquipmentNot Available
138LubricantsEnergy, oil & gasNot Available
147Food packagingFood, food processing & cookwareNot Available
174LubricantsIndustrial manufacturing & chemical processingNot Available
234Medical devicesHealthcare, pharmaceuticals & veterinary productsNot Available
451Carpets and RugsTextiles, leather & furnishingsNot Available
454Synthetic textilesTextiles, leather & furnishingsNot Available
490Personal care & cosmeticsNot Available
492Cell phonesElectrical & Electronic EquipmentNot Available
493CapacitorsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

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)6467.87
Click to view 3D structureType IV secretion-like conjugative transfer relaxase protein TraIB1LRJ1Escherichia coli (strain SMS-3-5 / SECEC)Predicted (SEA)7.86277
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)326.422
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)4717.51
Click to view 3D structurePhosphoglycerate kinaseP00560Saccharomyces cerevisiae S288cPredicted (SEA)71.5434
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)7701.47
Click to view 3D structureJuvenile hormone esteraseQ9GPG0Manduca sextaPredicted (SEA)371.73
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)7242.62
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)7747.87
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)487.959
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)7773.87
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)7775.74
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)602.164
Click to view 3D structureRyanodien receptorH9CNL0Spodoptera exiguaPredicted (SEA)4902.24
Click to view 3D structureSarcoplasmic/endoplasmic reticulum calcium ATPase 2P11507Rattus norvegicusPredicted (SEA)768.45
Click to view 3D structureEsteraseA3QR02Chilo suppressalisPredicted (SEA)559.58
Oxysterols receptor LXR-alpha structureClick to view 3D structureOxysterols receptor LXR-alphaQ13133HumansPredicted (SEA)7754.25
Oxysterols receptor LXR-beta structureClick to view 3D structureOxysterols receptor LXR-betaP55055HumansPredicted (SEA)7750.05
Click to view 3D structureAcetylpolyamine amidohydrolaseQ48935Mycoplana ramosaPredicted (SEA)736.921
Click to view 3D structureFatty-acid amide hydrolase 1P97612Rattus norvegicusPredicted (SEA)7770.75
Progesterone receptor structureClick to view 3D structureProgesterone receptorP06401HumansPredicted (SEA)7773.87
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)7783.99
Nuclear receptor ROR-alpha structureClick to view 3D structureNuclear receptor ROR-alphaP35398HumansPredicted (SEA)7747.4
Click to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)5916.0
Click to view 3D structureNuclear receptor ROR-betaQ92753HumansPredicted (SEA)7736.27
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available