Basic information
- CAS
62374-13-4- Standard SMILES
C[NH2+]C[C@@H]1C2CCC(CC2)[C@@H]1c1ccc(Cl)c(C(F)(F)F)c1.[Cl-]- InChIKey
WKHAKLNSYICTQD-QYTBXVMCSA-N- Molecular formula
- C17H22Cl2F3N
- Average molar mass
- 368.3 g/mol
- Monoisotopic mass
- 367.1081396
Names & identifiers
- Preferred name
- Bicyclo(2.2.2)octane-2-methylamine, 3-(4-chloro-3-trifluoromethylphenyl)-N-methyl-, hydrochloride, (Z)-
- IUPAC
- [(2R,3S)-3-[4-chloro-3-(trifluoromethyl)phenyl]-2-bicyclo[2.2.2]octanyl]methyl-methylazanium chloride
Names & synonyms
cis-2-(4-Chloro-3-trifluorophenyl)-3-methylaminomethylbicyclo(2.2.2)octane hydrochlorideBicyclo(2.2.2)octane-2-methylamine, 3-(4-chloro-3-trifluoromethylphenyl)-N-methyl-, hydrochloride, (Z)-62374-13-4RefChem:329284
Database identifiers
- CAS
62374-13-4- PubChem CID
- 44033
Properties
Computed structural properties
- Topological polar surface area
- 16.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 379
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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