Basic information
- CAS
36771-98-9- Standard SMILES
O=C(CCC[NH2+]C1CCC(c2ccc(F)cc2)CC1)c1ccc(F)cc1.[Cl-]- InChIKey
MKUVHLRYFYZRMJ-UHFFFAOYSA-N- Molecular formula
- C22H26ClF2NO
- Average molar mass
- 393.9 g/mol
- Monoisotopic mass
- 393.1670985
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-4-((4-(4-fluorophenyl)cyclohexyl)amino)butan-1-one--hydrogen chloride (1/1)
- IUPAC
- [4-(4-fluorophenyl)cyclohexyl]-[4-(4-fluorophenyl)-4-oxobutyl]azanium chloride
Names & synonyms
DTXSID109579901-(4-Fluorophenyl)-4-((4-(4-fluorophenyl)cyclohexyl)amino)butan-1-one--hydrogen chloride (1/1)RefChem:1054378DTXCID60138591236771-98-9cis-4'-Fluoro-4-(4-(p-fluorophenyl)cyclohexylamino)butyrophenone hydrochlorideButyrophenone, 4'-fluoro-4-(4-(p-fluorophenyl)cyclohexylamino)-, hydrochloride, (Z)-
Database identifiers
- CAS
36771-98-9- PubChem CID
- 37528
Properties
Computed structural properties
- Topological polar surface area
- 33.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 420
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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