Basic information
- Standard SMILES
CC(=O)c1cccc(N2CCNCC2)c1Cl.O=C(O)C(F)(F)F- InChIKey
TXQGLFXFDHYKBF-UHFFFAOYSA-N- Molecular formula
- C14H16ClF3N2O3
- Average molar mass
- 352.73 g/mol
- Monoisotopic mass
- 352.0801546
Names & identifiers
- Preferred name
- 1-(2-Chloro-3-piperazin-1-yl-phenyl)-ethanone trifluoroacetate
- IUPAC
- 1-(2-chloro-3-piperazin-1-ylphenyl)ethanone;2,2,2-trifluoroacetic acid
Names & synonyms
1-(2-chloro-3-piperazin-1-yl-phenyl)-ethanone trifluoroacetateSCHEMBL5370201
Database identifiers
- PubChem CID
- 21073138
Properties
Computed structural properties
- Topological polar surface area
- 69.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 337
Related reactions
2 records
Compound notes
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