Basic information
- Standard SMILES
COc1ccc(CNc2ccc(Br)cc2C(=O)C(F)(F)F)cc1- InChIKey
GHPJUMVJCGXEQM-UHFFFAOYSA-N- Molecular formula
- C16H13BrF3NO2
- Average molar mass
- 388.18 g/mol
Names & identifiers
- Preferred name
- 1-{5-Bromo-2-[(4-methoxybenzyl)amino]phenyl}-2,2,2-trifluoroethanone
- IUPAC
- 1-[5-bromo-2-[(4-methoxyphenyl)methylamino]phenyl]-2,2,2-trifluoroethanone
Names & synonyms
1-{5-bromo-2-[(4-methoxybenzyl)amino]phenyl}-2,2,2-trifluoroethanoneSCHEMBL3037620
Database identifiers
- PubChem CID
- 44549799
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 397
Related reactions
2 records
Compound notes
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