Basic information
- Standard SMILES
CC(=O)C1CN(Cc2ccccc2)CC1c1ccc(Cl)c(F)c1- InChIKey
XPPUVAAOMMDDAO-UHFFFAOYSA-N- Molecular formula
- C19H19ClFNO
- Average molar mass
- 331.8 g/mol
Names & identifiers
- Preferred name
- 1-[1-Benzyl-4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethanone
- IUPAC
- 1-[1-benzyl-4-(4-chloro-3-fluorophenyl)pyrrolidin-3-yl]ethanone
Database identifiers
- PubChem CID
- 77247930
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 412
Related reactions
2 records
Compound notes
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