1-Phenylethyl 2,2,3,3,3-pentafluoropropanoate
Basic information
- CAS
55702-47-1- Standard SMILES
CC(OC(=O)C(F)(F)C(F)(F)F)c1ccccc1- InChIKey
GQZAFSYCSMSOJI-UHFFFAOYSA-N- Molecular formula
- C11H9F5O2
- Average molar mass
- 268.18 g/mol
- Monoisotopic mass
- 268.05227034
Names & identifiers
- Preferred name
- 1-Phenylethyl 2,2,3,3,3-pentafluoropropanoate
- IUPAC
- 1-phenylethyl 2,2,3,3,3-pentafluoropropanoate
Names & synonyms
55702-47-11-Phenylethyl 2,2,3,3,3-pentafluoropropanoateRefChem:233234Propanoic acid, pentafluoro-, 1-phenylethyl ester1-Phenylethyl perfluoropropanoateGQZAFSYCSMSOJI-UHFFFAOYSA-NDTXSID1010453731-Phenylethyl 2,2,3,3,3-pentafluoropropanoate #
Database identifiers
- CAS
55702-47-1- PubChem CID
- 570566
- DTXSID
DTXSID101045373- Nikkaji
- J526.494D
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 294
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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