1,1,1,2,3,3,5,5,7,7,7-Undecafluoro-6-iodo-2,4-bis(trifluoromethyl)heptane (CED0192313)

Record Information
Version1.0
Creation Date2026-04-06 05:58:01 UTC
Update Date2026-08-25 16:11:33 UTC
Accession NumberCHEM118516
Identification
Common Name1,1,1,2,3,3,5,5,7,7,7-Undecafluoro-6-iodo-2,4-bis(trifluoromethyl)heptane
ClassSmall Molecule
Description
1,1,1,2,3,3,5,5,7,7,7-Undecafluoro-6-iodo-2,4-bis(trifluoromethyl)heptane belongs to the organoiodides, a class of organohalogen compounds within the organic compounds. With an average molecular weight of 559.99 g/mol, 1,1,1,2,3,3,5,5,7,7,7-Undecafluoro-6-iodo-2,4-bis(trifluoromethyl)heptane is a heavy molecule. This compound is identified by the chemical formula C9H2F17I. The substance is found in or released from 13 recorded sources across several sectors. Within electrical and electronic equipment, it is associated with cell phones, capacitors, batteries, printed circuit boards, and wires and cables, among one other source. It is also found in synthetic textiles, carpets, and rugs within the textiles, leather and furnishings sector. Other 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 inhalation, oral, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC9H2F17I
Average Molecular Mass559.992 g/mol
Monoisotopic Mass559.893 g/mol
CAS Registry NumberNot Available
IUPAC NameNot Available
Traditional NameNot Available
SMILESFC(F)(F)C(I)C(F)(F)C(C(F)(F)F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F
InChI IdentifierInChI=1/C9H2F17I/c10-3(11,2(27)6(17,18)19)1(5(14,15)16)4(12,13)7(20,8(21,22)23)9(24,25)26/h1-2H
InChI KeyPOLHUHLCNCEPRS-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
2761.0Log mg/kg[1600:4900]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)5632.16
Click to view 3D structureCholesteryl ester transfer proteinP22687Oryctolagus cuniculusPredicted (SEA)4664.57
Monoglyceride lipase structureClick to view 3D structureMonoglyceride lipaseQ99685HumansPredicted (SEA)7778.85
Monoacylglycerol lipase ABHD6 structureClick to view 3D structureMonoacylglycerol lipase ABHD6Q9BV23HumansPredicted (SEA)7755.11
Click to view 3D structureMonoglyceride lipaseO35678Mus musculusPredicted (SEA)7757.52
Nuclear receptor ROR-gamma structureClick to view 3D structureNuclear receptor ROR-gammaP51449HumansPredicted (SEA)7780.1
Click to view 3D structureFatty-acid amide hydrolase 1O08914Mus musculusPredicted (SEA)7773.56
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)7784.61
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)7784.77
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)7766.63
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)2556.88
Platelet-activating factor acetylhydrolase structureClick to view 3D structurePlatelet-activating factor acetylhydrolaseQ13093HumansPredicted (SEA)7648.53
Click to view 3D structureVoltage-gated potassium channel KCNC1P25122Rattus norvegicusPredicted (SEA)4437.79
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)7783.29
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)7783.37
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)7783.6
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)7782.9
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)7515.72
Click to view 3D structureObtusifoliol 14-alpha demethylaseP93846Sorghum bicolorPredicted (SEA)7147.88
Steroid 17-alpha-hydroxylase/17,20 lyase structureClick to view 3D structureSteroid 17-alpha-hydroxylase/17,20 lyaseP05093HumansPredicted (SEA)7774.57
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)7784.46
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7784.61
Click to view 3D structureFatty-acid amide hydrolase 1O00519HumansPredicted (SEA)7783.13
Cytochrome P450 11B1, mitochondrial structureClick to view 3D structureCytochrome P450 11B1, mitochondrialP15538HumansPredicted (SEA)7770.29
Cytochrome P450 11B2, mitochondrial structureClick to view 3D structureCytochrome P450 11B2, mitochondrialP19099HumansPredicted (SEA)7769.59
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available