Basic information
- Standard SMILES
N#CC(c1ccc(N)cc1)c1ccc(F)cc1- InChIKey
OGKREBZIRNUWFV-UHFFFAOYSA-N- Molecular formula
- C14H11FN2
- Average molar mass
- 226.25 g/mol
- Monoisotopic mass
- 226.09062652
Names & identifiers
- Preferred name
- 2-(4-Aminophenyl)-2-(4-fluorophenyl)acetonitrile
- IUPAC
- 2-(4-aminophenyl)-2-(4-fluorophenyl)acetonitrile
Names & synonyms
2-(4-aminophenyl)-2-(4-fluorophenyl)acetonitrileSCHEMBL11761653DTXSID201384562NS00124027
Database identifiers
- PubChem CID
- 51978
- DTXSID
DTXSID201384562- Nikkaji
- J291.118C
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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