Basic information
- CAS
59921-82-3- Standard SMILES
O=C(CCC[NH+]1CCCCCC1)c1ccc(F)cc1.[Cl-]- InChIKey
BBGMTQYQGXYFAE-UHFFFAOYSA-N- Molecular formula
- C16H23ClFNO
- Average molar mass
- 299.81 g/mol
- Monoisotopic mass
- 299.1452202
Names & identifiers
- Preferred name
- 4-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1)
- IUPAC
- 4-(azepan-1-ium-1-yl)-1-(4-fluorophenyl)butan-1-one chloride
Names & synonyms
59921-82-3DTXSID409753444-(Azepan-1-yl)-1-(4-fluorophenyl)butan-1-one--hydrogen chloride (1/1)RefChem:1070029DTXCID201402750Butyrophenone, 4'-fluoro-4-(2,3,4,5,6,7-hexahydro-1H-azepin-1-yl)-, hydrochloride4'-Fluoro-4-(2,3,4,5,6,7-hexahydro-1H-azepin-1-yl)butyrophenone hydrochloride
Database identifiers
- CAS
59921-82-3- PubChem CID
- 43129
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
- 266
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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