Basic information
- Standard SMILES
N#CC=C(N)c1ccccc1C(F)(F)F- InChIKey
MGOREHONZRQUPG-UHFFFAOYSA-N- Molecular formula
- C10H7F3N2
- Average molar mass
- 212.17 g/mol
Names & identifiers
- Preferred name
- beta-Amino-2-trifluoromethylcinnamonitrile
- IUPAC
- 3-amino-3-[2-(trifluoromethyl)phenyl]prop-2-enenitrile
Names & synonyms
beta-amino-2-trifluoromethylcinnamonitrileSCHEMBL11075363
Database identifiers
- PubChem CID
- 70507151
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 298
Related reactions
5 records
Compound notes
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