Basic information
- CAS
88763-46-6- Standard SMILES
FC(F)(F)c1ccccc1[C@H]1c2ccccc2[C@H]2NCCC[C@@H]12- InChIKey
JVJAODDHUIXLQJ-CGTJXYLNSA-N- Molecular formula
- C19H18F3N
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.13913406
Names & identifiers
- Preferred name
- 1H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(2-(trifluoromethyl)phenyl)-, (4a-alpha,5-beta,9b-alpha)-
- IUPAC
- (4aS,5R,9bS)-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
Names & synonyms
BRN 47078371H-Indeno(1,2-b)pyridine, 2,3,4,4a,5,9b-hexahydro-5-(2-(trifluoromethyl)phenyl)-, (4a-alpha,5-beta,9b-alpha)-88763-46-6RefChem:238609CHEMBL136777DTXSID801008374(4aS,5R,9bS)-5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine5-[2-(trifluoromethyl)phenyl]-2,3,4,4a,5,9b-hexahydro-1H-indeno[1,2-b]pyridine
Database identifiers
- CAS
88763-46-6- PubChem CID
- 55866
- DTXSID
DTXSID801008374- ChEMBL
CHEMBL136777
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 12 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 421
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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