Basic information
- Standard SMILES
O=C(c1ccc(Br)cc1C(F)(F)F)N1CCCC1- InChIKey
JUZYDXPTZSLSDW-UHFFFAOYSA-N- Molecular formula
- C12H11BrF3NO
- Average molar mass
- 322.12 g/mol
Names & identifiers
- Preferred name
- 4-Bromo-2-(trifluoromethyl)benzoyl pyrrolidine
- IUPAC
- [4-bromo-2-(trifluoromethyl)phenyl]-pyrrolidin-1-ylmethanone
Names & synonyms
4-Bromo-2-(trifluoromethyl)benzoyl pyrrolidine(4-Bromo-2-(trifluoromethyl)phenyl)(pyrrolidin-1-yl)methanone
Database identifiers
- PubChem CID
- 86224593
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 315
Related reactions
3 records
Compound notes
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