Basic information
- Standard SMILES
N#CCCc1ccc(Oc2ccc(F)cc2)cc1- InChIKey
ZSRKGXVZSWASKQ-UHFFFAOYSA-N- Molecular formula
- C15H12FNO
- Average molar mass
- 241.26 g/mol
- Monoisotopic mass
- 241.09029217
Names & identifiers
- Preferred name
- 3-(4-(4-Fluorophenoxy)phenyl)propanenitrile
- IUPAC
- 3-[4-(4-fluorophenoxy)phenyl]propanenitrile
Names & synonyms
SCHEMBL9107893ZSRKGXVZSWASKQ-UHFFFAOYSA-N3-(4-(4-fluorophenoxy)phenyl)propanenitrile3-(4-(4-fluorophenoxyl)phenyl)propanenitrile
Database identifiers
- PubChem CID
- 67775812
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 282
Related reactions
4 records
Compound notes
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