Phenyl perfluorobutyl ketone
Basic information
- CAS
308-27-0- Standard SMILES
O=C(c1ccccc1)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
ANIVIGFLVISQHR-UHFFFAOYSA-N- Molecular formula
- C11H5F9O
- Average molar mass
- 324.14 g/mol
- Monoisotopic mass
- 324.01966824
Names & identifiers
- Preferred name
- Phenyl perfluorobutyl ketone
- IUPAC
- 2,2,3,3,4,4,5,5,5-nonafluoro-1-phenylpentan-1-one
Names & synonyms
308-27-0Phenyl perfluorobutyl ketone2,2,3,3,4,4,5,5,5-Nonafluoro-1-phenylpentan-1-oneMFCD00411631starbld0049178SCHEMBL31758199DTXSID001022348Phenyl perfluorobutyl ketone, 97%
Database identifiers
- CAS
308-27-0- PubChem CID
- 12608366
- DTXSID
DTXSID001022348- Nikkaji
- J2.954.429H
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 393
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Compound notes
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