Basic information
- Standard SMILES
N#CCc1cc(F)ccc1OCc1ccc(-c2ccc(C(F)(F)F)cc2)cc1- InChIKey
BAZYEBNTVFZFJJ-UHFFFAOYSA-N- Molecular formula
- C22H15F4NO
- Average molar mass
- 385.4 g/mol
Names & identifiers
- Preferred name
- 2-(5-Fluoro-2-((4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)methoxy)phenyl)acetonitrile
- IUPAC
- 2-[5-fluoro-2-[[4-[4-(trifluoromethyl)phenyl]phenyl]methoxy]phenyl]acetonitrile
Names & synonyms
934818-90-32-(5-Fluoro-2-((4'-(trifluoromethyl)-[1,1'-biphenyl]-4-yl)methoxy)phenyl)acetonitrile(5-fluoro-2-{[4'-(trifluoromethyl)-1,1'-biphenyl-4-yl]methoxy}phenyl)-acetonitrileSCHEMBL2675336G75138F551471Benzeneacetonitrile, 5-fluoro-2-[[4'-(trifluoromethyl)[1,1'-biphenyl]-4-yl]methoxy]-
Database identifiers
- PubChem CID
- 57971925
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 526
Related reactions
2 records
Compound notes
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