1,1,1,2,3,3,5,5,5-Nonafluoro-4-iodo-2-(trifluoromethyl)pentane (CED0191843)

Record Information
Version1.0
Creation Date2026-04-06 06:57:57 UTC
Update Date2026-08-23 16:32:52 UTC
Accession NumberCHEM119539
Identification
Common Name1,1,1,2,3,3,5,5,5-Nonafluoro-4-iodo-2-(trifluoromethyl)pentane
ClassSmall Molecule
Description
1,1,1,2,3,3,5,5,5-Nonafluoro-4-iodo-2-(trifluoromethyl)pentane is an organic compound with the chemical formula C6HF12I and an average molecular weight of 427.96 g/mol. 1,1,1,2,3,3,5,5,5-Nonafluoro-4-iodo-2-(trifluoromethyl)pentane belongs to the organoiodides, a class of organohalogen compounds within the organic compounds. The compound is found in or released from 13 recorded sources across several sectors. In the electrical and electronic equipment sector, it is associated with cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. It is present in food packaging within the food, food processing and cookware sector, and in medical devices within the healthcare, pharmaceuticals and veterinary products sector. Additionally, the compound is found in synthetic textiles as well as carpets and rugs within the textiles, leather and furnishings sector. In the energy, oil and gas sector and the industrial manufacturing and chemical processing sector, it is utilized in lubricants. One other sector is also recorded as a source. Recorded exposure routes for this compound include inhalation, oral, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC6HF12I
Average Molecular Mass427.959 g/mol
Monoisotopic Mass427.893 g/mol
CAS Registry Number922524-00-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESFC(F)(F)C(I)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChI IdentifierInChI=1S/C6HF12I/c7-2(8,1(19)3(9,10)11)4(12,5(13,14)15)6(16,17)18/h1H
InChI KeyXNCBATRFONZBGA-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
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
2692.0Log mg/kg[1500:4800]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
Click to view 3D structureRyanodien receptorH9CNL0Spodoptera exiguaPredicted (SEA)5098.35
Click to view 3D structureCholesteryl ester transfer proteinP22687Oryctolagus cuniculusPredicted (SEA)3991.17
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)7776.2
Monoacylglycerol lipase ABHD6 structureClick to view 3D structureMonoacylglycerol lipase ABHD6Q9BV23HumansPredicted (SEA)7722.41
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)7784.22
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)7784.3
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)7775.89
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)7724.28
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)7756.12
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)1736.43
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)7209.31
Click to view 3D structureVoltage-gated potassium channel KCNC1P25122Rattus norvegicusPredicted (SEA)3747.66
Platelet-activating factor acetylhydrolase structureClick to view 3D structurePlatelet-activating factor acetylhydrolaseQ13093HumansPredicted (SEA)7542.66
Click to view 3D structureMonoglyceride lipaseO35678Mus musculusPredicted (SEA)7757.21
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)7781.57
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)7782.59
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)7782.12
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)7782.66
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)7781.96
Malonyl-CoA decarboxylase, mitochondrial structureClick to view 3D structureMalonyl-CoA decarboxylase, mitochondrialO95822HumansPredicted (SEA)6466.7
Histone deacetylase-like amidohydrolase structureClick to view 3D structureHistone deacetylase-like amidohydrolaseQ70I53Alcaligenes sp. (strain DSM 11172)Predicted (SEA)7231.34
Click to view 3D structurePhosphoglycerate kinaseP00560Saccharomyces cerevisiae S288cPredicted (SEA)843.574
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7784.46
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)7783.52
Carbonic anhydrase 7 structureClick to view 3D structureCarbonic anhydrase 7P43166HumansPredicted (SEA)7784.22
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available