Basic information
- Standard SMILES
N#Cc1ccc(Oc2ccc(CO)cc2C#N)cc1F- InChIKey
VQATYBHXBLWVJB-UHFFFAOYSA-N- Molecular formula
- C15H9FN2O2
- Average molar mass
- 268.24 g/mol
Names & identifiers
- Preferred name
- 4-(2-Cyano-4-(hydroxymethyl)phenoxy)-2-fluorobenzonitrile
- IUPAC
- 2-(4-cyano-3-fluorophenoxy)-5-(hydroxymethyl)benzonitrile
Names & synonyms
SCHEMBL14656148VQATYBHXBLWVJB-UHFFFAOYSA-N4-(2-cyano-4-(hydroxymethyl)phenoxy)-2-fluorobenzonitrile
Database identifiers
- PubChem CID
- 71236604
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 77 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 424
Related reactions
3 records
Compound notes
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