Basic information
- Standard SMILES
CC(O)(CCBr)c1ccc(-c2ccc(F)cc2)cc1- InChIKey
PAMIXKLBWYQVFJ-UHFFFAOYSA-N- Molecular formula
- C16H16BrFO
- Average molar mass
- 323.2 g/mol
Names & identifiers
- Preferred name
- 1-Bromo-3-(4'-fluoro-4-biphenylyl)-butan-3-ol
- IUPAC
- 4-bromo-2-[4-(4-fluorophenyl)phenyl]butan-2-ol
Names & synonyms
SCHEMBL11690573PAMIXKLBWYQVFJ-UHFFFAOYSA-N1-bromo-3-(4'-fluoro-4-biphenylyl)-butan-3-ol
Database identifiers
- PubChem CID
- 21396514
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 270
Related reactions
2 records
Compound notes
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