Basic information
- CAS
1214339-30-6- Standard SMILES
N#Cc1ccc(C(F)(F)F)c(-c2ccccc2F)c1- InChIKey
WRCVDBIAOMMXQC-UHFFFAOYSA-N- Molecular formula
- C14H7F4N
- Average molar mass
- 265.2 g/mol
- Monoisotopic mass
- 265.05146188
Names & identifiers
- Preferred name
- 3-(2-Fluorophenyl)-4-(trifluoromethyl)benzonitrile
- IUPAC
- 3-(2-fluorophenyl)-4-(trifluoromethyl)benzonitrile
Names & synonyms
1214339-30-6DTXSID0011908122'-Fluoro-6-(trifluoromethyl)[1,1'-biphenyl]-3-carbonitrile[1,1'-Biphenyl]-3-carbonitrile, 2'-fluoro-6-(trifluoromethyl)-2a(2)-Fluoro-6-(trifluoromethyl)[1,1a(2)-biphenyl]-3-carbonitrile2 inverted exclamation marka-Fluoro-6-(trifluoromethyl)[1,1 inverted exclamation marka-biphenyl]-3-carbonitrile
Database identifiers
- CAS
1214339-30-6- PubChem CID
- 46313222
- DTXSID
DTXSID001190812
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 356
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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