Basic information
- Standard SMILES
CC(=O)O[C@H](O)C(C)(O)c1ccc(F)cc1F- InChIKey
BISACSQZJDIPMW-VUWPPUDQSA-N- Molecular formula
- C11H12F2O4
- Average molar mass
- 246.21 g/mol
- Monoisotopic mass
- 246.07036518
Names & identifiers
- Preferred name
- (S)-2-(2,4-difluorophenyl)-1-acetoxy-1,2-propanediol
- IUPAC
- [(1S)-2-(2,4-difluorophenyl)-1,2-dihydroxypropyl] acetate
Names & synonyms
SCHEMBL7806944BISACSQZJDIPMW-VUWPPUDQSA-N(S)-2-(2,4-difluorophenyl)-1-acetoxy-1,2-propanediol
Database identifiers
- PubChem CID
- 53684152
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 66.8 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 287
Related reactions
3 records
Compound notes
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