Basic information
- CAS
59921-93-6- Standard SMILES
CC1CCC(C)[NH+]1CCCC(=O)c1ccc(F)cc1.[Cl-]- InChIKey
UVXZDRUCKJAHMR-UHFFFAOYSA-N- Molecular formula
- C16H23ClFNO
- Average molar mass
- 299.81 g/mol
- Monoisotopic mass
- 299.1452202
Names & identifiers
- Preferred name
- Butyrophenone, 4-(2,5-dimethyl-pyrrolidinyl)-4'-fluoro-, hydrochloride
- IUPAC
- 4-(2,5-dimethylpyrrolidin-1-ium-1-yl)-1-(4-fluorophenyl)butan-1-one chloride
Names & synonyms
59921-93-6BUTYROPHENONE, 4-(2,5-DIMETHYL-PYRROLIDINYL)-4'-FLUORO-, HYDROCHLORIDERefChem:10805234-(2,5-Dimethylpyrrolidinyl)-4'-fluorobutyrophenone hydrochloride
Database identifiers
- CAS
59921-93-6- PubChem CID
- 43142
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 289
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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