1,1,1,2,2-Pentafluoro-6-phenoxyhexan-3-one
Basic information
- Standard SMILES
O=C(CCCOc1ccccc1)C(F)(F)C(F)(F)F- InChIKey
UBHYINRSFYRPGI-UHFFFAOYSA-N- Molecular formula
- C12H11F5O2
- Average molar mass
- 282.21 g/mol
- Monoisotopic mass
- 282.0679204
Names & identifiers
- Preferred name
- 1,1,1,2,2-Pentafluoro-6-phenoxyhexan-3-one
- IUPAC
- 1,1,1,2,2-pentafluoro-6-phenoxyhexan-3-one
Names & synonyms
CHEMBL1094086DTXSID1013678041,1,1,2,2-Pentafluoro-6-phenoxyhexan-3-one
Database identifiers
- PubChem CID
- 46222015
- DTXSID
DTXSID101367804- ChEMBL
CHEMBL1094086
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 295
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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