(2-Perfluorooctylethyl)isopropoxycarbonyloxyiminophenylacetonitrile (CED0157032)

Record Information
Version1.0
Creation Date2026-04-03 05:42:57 UTC
Update Date2026-08-30 10:10:52 UTC
Accession NumberCHEM062122
Identification
Common Name(2-Perfluorooctylethyl)isopropoxycarbonyloxyiminophenylacetonitrile
ClassSmall Molecule
Description
(2-Perfluorooctylethyl)isopropoxycarbonyloxyiminophenylacetonitrile belongs to the benzene and substituted derivatives, a class of benzenoids within the organic compounds. With an average molecular weight of 678.35 g/mol, (2-Perfluorooctylethyl)isopropoxycarbonyloxyiminophenylacetonitrile is a heavy molecule. Its chemical formula is C22H15F17N2O3. This compound is found in or released from 13 recorded sources across several sectors. In the electrical and electronic equipment sector, it is associated with batteries, capacitors, printed circuit boards, wires and cables, cell phones, and one additional source. Within the textiles, leather and furnishings sector, it is linked to carpets, rugs, and synthetic textiles. It is also found in food packaging within the food, food processing and cookware sector, and in medical devices within 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 substance include oral, inhalation, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC22H15F17N2O3
Average Molecular Mass678.346 g/mol
Monoisotopic Mass678.081 g/mol
CAS Registry Number350716-42-6
IUPAC NameNot Available
Traditional NameNot Available
SMILESCC(C)(CCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OC(=O)ON=C(C#N)C1=CC=CC=C1
InChI IdentifierInChI=1S/C22H15F17N2O3/c1-14(2,43-13(42)44-41-12(10-40)11-6-4-3-5-7-11)8-9-15(23,24)16(25,26)17(27,28)18(29,30)19(31,32)20(33,34)21(35,36)22(37,38)39/h3-7H,8-9H2,1-2H3/b41-12-
InChI KeyNFEFLNJWJYPWIZ-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
554.0Log mg/kg[310:980]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
Cathepsin S structureClick to view 3D structureCathepsin SP25774HumansPredicted (SEA)546.268
Click to view 3D structureProcathepsin LP25975Bos taurusPredicted (SEA)177.029
Cathepsin B structureClick to view 3D structureCathepsin BP07858HumansPredicted (SEA)726.567
Procathepsin L structureClick to view 3D structureProcathepsin LP07711HumansPredicted (SEA)733.262
Cathepsin K structureClick to view 3D structureCathepsin KP43235HumansPredicted (SEA)621.003
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)1243.49
Papain structureClick to view 3D structurePapainP00784Carica papayaPredicted (SEA)326.655
Cathepsin G structureClick to view 3D structureCathepsin GP08311HumansPredicted (SEA)346.195
Click to view 3D structureChymotrypsin-like elastase family member 2AP08419Sus scrofaPredicted (SEA)160.369
Click to view 3D structureLuciferin 4-monooxygenaseP08659Photinus pyralisPredicted (SEA)919.01
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)1173.58
Click to view 3D structureChymotrypsinogen BP17538HumansPredicted (SEA)196.725
Chymase structureClick to view 3D structureChymaseP23946HumansPredicted (SEA)426.147
Serine protease 1 structureClick to view 3D structureSerine protease 1P07477HumansPredicted (SEA)1006.67
Click to view 3D structureLipoprotein lipaseP11152Mus musculusPredicted (SEA)96.1438
Cruzipain structureClick to view 3D structureCruzipainP25779Trypanosoma cruziPredicted (SEA)666.545
Click to view 3D structureChymotrypsinogen BP00767Bos taurusPredicted (SEA)145.267
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)2137.9
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)2141.55
Click to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)306.259
Sphingosine 1-phosphate receptor 4 structureClick to view 3D structureSphingosine 1-phosphate receptor 4O95977HumansPredicted (SEA)1251.27
Mu-type opioid receptor structureClick to view 3D structureMu-type opioid receptorP35372HumansPredicted (SEA)4065.91
Click to view 3D structureGeneral amino acid permease AGP1P25376Saccharomyces cerevisiae S288cPredicted (SEA)177.185
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)88.826
Krueppel-like factor 5 structureClick to view 3D structureKrueppel-like factor 5Q13887HumansPredicted (SEA)865.683
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDNot Available
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider IDNot Available
ChEBI IDNot Available
PubChem Compound ID16217109
Kegg Compound IDNot Available
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References