Basic information
- Standard SMILES
COc1cc(C#N)cc(C(O)c2cccc(F)c2)c1F- InChIKey
GRBMSEWYECXJKF-UHFFFAOYSA-N- Molecular formula
- C15H11F2NO2
- Average molar mass
- 275.25 g/mol
Names & identifiers
- Preferred name
- 4-Fluoro-3-[(3-fluorophenyl)-hydroxymethyl)-5-methoxybenzonitrile
- IUPAC
- 4-fluoro-3-[(3-fluorophenyl)-hydroxymethyl]-5-methoxybenzonitrile
Names & synonyms
4-Fluoro-3-[(3-fluorophenyl)-hydroxymethyl)-5-methoxybenzonitrile4-fluoro-3-[(3-fluorophenyl)-hydroxymethyl]-5-methoxybenzonitrileSCHEMBL2866732GRBMSEWYECXJKF-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 22260657
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 370
Related reactions
8 records
Compound notes
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