Basic information
- Standard SMILES
N#CCc1ccc(Br)c(C(F)(F)F)c1- InChIKey
RGGFAFIBVXMQSY-UHFFFAOYSA-N- Molecular formula
- C9H5BrF3N
- Average molar mass
- 264.04 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-3-(trifluoromethyl)phenylacetonitrile
- IUPAC
- 2-[4-bromo-3-(trifluoromethyl)phenyl]acetonitrile
Names & synonyms
4-Bromo-3-(trifluoromethyl)phenylacetonitrile1159512-69-22-[4-bromo-3-(trifluoromethyl)phenyl]acetonitrileMFCD120264832-(4-bromo-3-(trifluoromethyl)phenyl)acetonitrile2-Bromo-5-(cyanomethyl)benzotrifluorideSCHEMBL12332127SBB102736AKOS025393492PS-7341CS-0268781EN300-1932613
Show more names
2-[4-bromo-3-(trifluoromethyl)phenyl]ethanenitrile
Database identifiers
- PubChem CID
- 45933702
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 23.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 242
Related reactions
6 records
Compound notes
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