2,2,2-Trifluoroethyl perfluorobutanimidate (CED0006687)

Record Information
Version1.0
Creation Date2026-04-06 06:44:27 UTC
Update Date2026-08-23 09:17:57 UTC
Accession NumberCHEM119256
Identification
Common Name2,2,2-Trifluoroethyl perfluorobutanimidate
ClassSmall Molecule
Description
2,2,2-Trifluoroethyl perfluorobutanimidate is an organic compound with the formula C6H3F10NO and an average molecular weight of 295.08 g/mol. 2,2,2-Trifluoroethyl perfluorobutanimidate belongs to the imidoesters, a subclass of carboximidic acids and derivatives within the organic compounds. This compound is associated with 13 recorded sources across multiple sectors. Within electrical and electronic equipment, it is found in cell phones, capacitors, batteries, printed circuit boards, wires and cables, and one additional source. It is present in textiles, leather and furnishings, specifically in synthetic textiles as well as carpets and rugs. In the food, food processing and cookware sector, it is found in food packaging, while in healthcare, pharmaceuticals and veterinary products, it is associated with medical devices. Additionally, it is used as a lubricant within the energy, oil and gas sector as well as in industrial manufacturing and chemical processing. One other sector is also recorded as a source. Recorded exposure routes for 2,2,2-Trifluoroethyl perfluorobutanimidate include inhalation, oral exposure, and touch.
Contaminant Type
  • PFAS
Chemical Structure
SynonymsNot Available
Chemical FormulaC6H3F10NO
Average Molecular Mass295.080 g/mol
Monoisotopic Mass295.005 g/mol
CAS Registry Number4078-29-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESFC(F)(F)COC(=N)C(F)(F)C(F)(F)C(F)(F)F
InChI IdentifierInChI=1S/C6H3F10NO/c7-3(8,9)1-18-2(17)4(10,11)5(12,13)6(14,15)16/h17H,1H2
InChI KeyMFBCEXYUNWQKLU-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
1744.0Log mg/kg[980:3100]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
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)7764.92
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7766.55
Click to view 3D structureDNA damage-inducible transcript 3 proteinP35639Mus musculusPredicted (SEA)7535.26
X-box-binding protein 1 structureClick to view 3D structureX-box-binding protein 1P17861HumansPredicted (SEA)7536.89
Click to view 3D structureLiver carboxylesteraseQ29550Sus scrofaPredicted (SEA)3204.35
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)7767.25
Liver carboxylesterase 1 structureClick to view 3D structureLiver carboxylesterase 1P23141HumansPredicted (SEA)5713.04
Click to view 3D structureCocaine esteraseO00748HumansPredicted (SEA)5862.12
Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2 structureClick to view 3D structureInositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase 2O43314HumansPredicted (SEA)163.016
Sodium/hydrogen exchanger 1 structureClick to view 3D structureSodium/hydrogen exchanger 1P19634HumansPredicted (SEA)5485.26
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)7774.8
Click to view 3D structureAcylcarnitine hydrolaseQ91WG0Mus musculusPredicted (SEA)211.75
Click to view 3D structureProtein RecAP9WHJ3Mycobacterium tuberculosisPredicted (SEA)7698.04
Click to view 3D structureInward rectifier potassium channel 2P35561Mus musculusPredicted (SEA)3383.72
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)7761.96
Click to view 3D structureLiver carboxylesterase B-1Q63010Rattus norvegicusPredicted (SEA)238.374
Click to view 3D structurePhosphoglycerate kinaseP00560Saccharomyces cerevisiae S288cPredicted (SEA)43.2842
Click to view 3D structureCG8425-PA [Drosophila melanogaster]A1ZA98Drosophila melanogasterPredicted (SEA)242.812
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)7776.2
Oxysterols receptor LXR-beta structureClick to view 3D structureOxysterols receptor LXR-betaP55055HumansPredicted (SEA)7533.16
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)7768.81
Click to view 3D structureVoltage-dependent T-type calcium channel subunit alpha-1GO43497HumansPredicted (SEA)7202.61
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)7776.05
Sphingosine 1-phosphate receptor 4 structureClick to view 3D structureSphingosine 1-phosphate receptor 4O95977HumansPredicted (SEA)7670.8
Sphingosine 1-phosphate receptor 2 structureClick to view 3D structureSphingosine 1-phosphate receptor 2O95136HumansPredicted (SEA)7637.32
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available