Basic information
- CAS
18017-31-7- Standard SMILES
O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)(C(F)(F)F)C(F)(F)F- InChIKey
JQXGQDNUXYODIT-UHFFFAOYSA-N- Molecular formula
- C7F14O
- Average molar mass
- 366.05 g/mol
- Monoisotopic mass
- 365.9725589
Names & identifiers
- Preferred name
- Decafluoro-5-(trifluoromethyl)hexanoyl fluoride
- IUPAC
- 2,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)hexanoyl fluoride
- English name
- decafluoro-5-(trifluoromethyl)hexanoyl fluoride
- Molecular formula
- C7F14O
- Molecular weight
- 366.05
Names & synonyms
18017-31-7Decafluoro-5-(trifluoromethyl)hexanoyl fluorideHexanoyl fluoride, 2,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)-EINECS 241-926-7DTXSID0066296Hexanoyl fluoride, decafluoro-5-(trifluoromethyl)-RefChem:585285DTXCID3035717241-926-72,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)hexanoyl fluorideQHY4NJ4QMVNS00011264
Show more names
2,2,3,3,4,4,5,6,6,6-Decafluoro-5-(trifluoromethyl)hexanoic acid fluoride
Database identifiers
- CAS
18017-31-7- PubChem CID
- 87403
- DTXSID
DTXSID0066296- UNII
- QHY4NJ4QMV
- EC Number
- 241-926-7
- Nikkaji
- J260.828F
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 427
Experimental & physicochemical properties
PFAS
PFAS -> Other/unspecified
PFAS -> OECD Category
PFAS -> Other/unspecified
PFAS -> Other/unspecified
Physicochemical properties
- Boiling point
- 92 · 92.0±40.0 °C(Predicted)
- Density
- 1.68 · 1.680±0.06 g/cm3(Predicted)
- EPA Substance Registry System
- 2 · Hexanoyl fluoride, 2,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)- (18017-31-7)
- TSCA
- TSCA listed
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Hazard information
Regulatory InformationS - indicates a substance that is identified in a final Significant New Use Rule.
Safety data
- tsca
- TSCA listed
Chemistry & industry
Uses & manufacturing
Use ClassificationPFAS (per- and polyfluoroalkyl substances) -> OECD Category
General Manufacturing InformationHexanoyl fluoride, 2,2,3,3,4,4,5,6,6,6-decafluoro-5-(trifluoromethyl)-: INACTIVE
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…