Basic information
- CAS
36771-99-0- Standard SMILES
C[NH+](CCCC(=O)c1ccc(F)cc1)C1CCC(c2ccc(F)cc2)CC1.[Cl-]- InChIKey
SWVKCNZITGUWKG-UHFFFAOYSA-N- Molecular formula
- C23H28ClF2NO
- Average molar mass
- 407.9 g/mol
- Monoisotopic mass
- 407.1827485
Names & identifiers
- Preferred name
- Butyrophenone, 4'-fluoro-4-(N-(4-(p-fluorophenyl)cyclohexyl)-N-methylamino)-, hydrochloride, (E)-
- IUPAC
- [4-(4-fluorophenyl)cyclohexyl]-[4-(4-fluorophenyl)-4-oxobutyl]-methylazanium chloride
Names & synonyms
36771-99-0Butyrophenone, 4'-fluoro-4-(N-(4-(p-fluorophenyl)cyclohexyl)-N-methylamino)-, hydrochloride, (E)-36772-00-6Butyrophenone, 4'-fluoro-4-(N-(4-(p-fluorophenyl)cyclohexyl)-N-methylamino)-, hydrochloride, (Z)-
Database identifiers
- CAS
36771-99-0、36772-00-6- PubChem CID
- 37530
Properties
Computed structural properties
- Topological polar surface area
- 21.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 447
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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