2-Pentanone, 1,1,1-trifluoro-5-(phenylmethoxy)-
Basic information
- CAS
129781-11-9- Standard SMILES
O=C(CCCOCc1ccccc1)C(F)(F)F- InChIKey
PKYLRTIGQJNNBG-UHFFFAOYSA-N- Molecular formula
- C12H13F3O2
- Average molar mass
- 246.22 g/mol
- Monoisotopic mass
- 246.08676414
Names & identifiers
- Preferred name
- 2-Pentanone, 1,1,1-trifluoro-5-(phenylmethoxy)-
- IUPAC
- 1,1,1-trifluoro-5-phenylmethoxypentan-2-one
Names & synonyms
129781-11-92-Pentanone, 1,1,1-trifluoro-5-(phenylmethoxy)-5-(BENZYLOXY)-1,1,1-TRIFLUOROPENTAN-2-ONESCHEMBL21715564DTXSID50577050PKYLRTIGQJNNBG-UHFFFAOYSA-N
Database identifiers
- CAS
129781-11-9- PubChem CID
- 15701985
- DTXSID
DTXSID50577050- Nikkaji
- J1.808.066D
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 232
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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