Basic information
- CAS
45167-47-3- Standard SMILES
O=C([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
CXZGQIAOTKWCDB-UHFFFAOYSA-M- Molecular formula
- C5F9O2-
- Average molar mass
- 263.04 g/mol
- Monoisotopic mass
- 262.9754577
Names & identifiers
- Preferred name
- Perfluoropentanoate
- IUPAC
- 2,2,3,3,4,4,5,5,5-nonafluoropentanoate
Names & synonyms
perfluoropentanoate2,2,3,3,4,4,5,5,5-nonafluoropentanoateDTXSID0089248745167-47-3NonafluorovalerateRefChem:368424DTXCID501079663nonafluoropentanoatePFPeA ion
Database identifiers
- CAS
45167-47-3- PubChem CID
- 5111819
- DTXSID
DTXSID00892487- Nikkaji
- J1.895.913E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 40.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- -1
- Complexity
- 285
Experimental & physicochemical properties
PFAS
PFAS
PFAS -> Other/unspecified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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