Basic information
- CAS
40504-42-5- Standard SMILES
O=C(CCC[NH2+]C1CCC(c2ccc(C(F)(F)F)cc2)CC1)c1ccc(F)cc1.[Cl-]- InChIKey
ZDEIZGPXMCOMLO-UHFFFAOYSA-N- Molecular formula
- C23H26ClF4NO
- Average molar mass
- 443.9 g/mol
- Monoisotopic mass
- 443.1639048
Names & identifiers
- Preferred name
- 1-(4-Fluorophenyl)-4-((4-(4-(trifluoromethyl)phenyl)cyclohexyl)amino)butan-1-one--hydrogen chloride (1/1)
- IUPAC
- [4-(4-fluorophenyl)-4-oxobutyl]-[4-[4-(trifluoromethyl)phenyl]cyclohexyl]azanium chloride
Names & synonyms
40504-42-51-(4-Fluorophenyl)-4-((4-(4-(trifluoromethyl)phenyl)cyclohexyl)amino)butan-1-one--hydrogen chloride (1/1)RefChem:1054377DTXCID101388747DTXSID30960906Butyrophenone, 4'-fluoro-4-(4-(alpha,alpha,alpha-trifluoro-p-tolyl)cyclohexylamino)-, hydrochloride, (E)-
Database identifiers
- CAS
40504-42-5- PubChem CID
- 38495
Properties
Computed structural properties
- Topological polar surface area
- 33.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 499
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…