Basic information
- Standard SMILES
CN1C(=O)CC[C@]2(C)c3ccc(-c4ccc(F)cc4C(F)(F)F)cc3CC[C@@H]12- InChIKey
LGKNSHWPANYZRA-TZIWHRDSSA-N- Molecular formula
- C22H21F4NO
- Average molar mass
- 391.4 g/mol
Names & identifiers
- Preferred name
- (+)-(4aR)-(10bR)-4-methyl-8-(2-trifluoromethyl-4-fluoro-phenyl)-10b-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]-quinolin-3-one
- IUPAC
- (4aR,10bR)-8-[4-fluoro-2-(trifluoromethyl)phenyl]-4,10b-dimethyl-2,4a,5,6-tetrahydro-1H-benzo[f]quinolin-3-one
Names & synonyms
(+)-(4aR)-(10bR)-4-methyl-8-(2-trifluoromethyl-4-fluoro-phenyl)-10b-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]-quinolin-3-oneSCHEMBL7461912(+)-(4aR)-(10bR)-4-methyl-8-(2-trifluoromethyl-4-fluorophenyl)-10b-methyl-1,2,3,4,4a,5,6,10b-octahydrobenzo[f]-quinolin-3-one
Database identifiers
- PubChem CID
- 54032255
Properties
Computed structural properties
- XLogP
- 5.2
- Topological polar surface area
- 20.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 608
Related reactions
3 records
Compound notes
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