Basic information
- Standard SMILES
N#CCCc1ccc(Oc2cccc(C(F)(F)F)c2)cc1- InChIKey
VVARULYXPDJSGK-UHFFFAOYSA-N- Molecular formula
- C16H12F3NO
- Average molar mass
- 291.27 g/mol
Names & identifiers
- Preferred name
- 3-(4-(3-(Trifluoromethyl)phenoxy)phenyl)propanenitrile
- IUPAC
- 3-[4-[3-(trifluoromethyl)phenoxy]phenyl]propanenitrile
Names & synonyms
3-(4-(3-(trifluoromethyl)phenoxy)phenyl)propanenitrileSCHEMBL9106607
Database identifiers
- PubChem CID
- 67775171
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 365
Related reactions
2 records
Compound notes
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