Basic information
- CAS
66968-07-8- Standard SMILES
C[NH+]1CCc2cccc3c2[C@@H]1Cc1ccc(C(F)(F)F)cc1-3.[Cl-]- InChIKey
JHNNBINHANHWTJ-NTISSMGPSA-N- Molecular formula
- C18H17ClF3N
- Average molar mass
- 339.8 g/mol
- Monoisotopic mass
- 339.1001617
Names & identifiers
- Preferred name
- Aporphine, 10-trifluoromethyl-, hydrochloride
- IUPAC
- (6aS)-6-methyl-10-(trifluoromethyl)-5,6,6a,7-tetrahydro-4H-dibenzo[de,g]quinolin-6-ium chloride
Names & synonyms
10-TrifluoromethylaporphineAPORPHINE, 10-TRIFLUOROMETHYL-, HYDROCHLORIDE66968-07-8RefChem:319936
Database identifiers
- CAS
66968-07-8- PubChem CID
- 48701
Properties
Computed structural properties
- Topological polar surface area
- 4.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…