2H-Quinolizin-2-equatorial-ol, octahydro-2-axial-(alpha,alpha,alpha-trifluoro-m-tolyl)-
Basic information
- CAS
57661-30-0- Standard SMILES
OC1(c2cccc(C(F)(F)F)c2)CCN2CCCC[C@@H]2C1- InChIKey
OABKVAHOXRFSNU-GICMACPYSA-N- Molecular formula
- C16H20F3NO
- Average molar mass
- 299.33 g/mol
- Monoisotopic mass
- 299.14969875
Names & identifiers
- Preferred name
- 2H-Quinolizin-2-equatorial-ol, octahydro-2-axial-(alpha,alpha,alpha-trifluoro-m-tolyl)-
- IUPAC
- (9aR)-2-[3-(trifluoromethyl)phenyl]-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
Names & synonyms
2-equatorial-Hydroxy-2-axial-(3-trifluorophenyl)quinolizidine57661-30-02-equatorial-Hydroxy-2-axial-(alpha,alpha,alpha-trifluoro-m-tolyl)quinolizidine2H-Quinolizin-2-equatorial-ol, octahydro-2-axial-(alpha,alpha,alpha-trifluoro-m-tolyl)-RefChem:269179(9ar)-2-[3-(trifluoromethyl)phenyl]octahydro-2h-quinolizin-2-olDTXSID109732562-[3-(trifluoromethyl)phenyl]octahydro-2h-quinolizin-2-ol
Database identifiers
- CAS
57661-30-0- PubChem CID
- 93758
- DTXSID
DTXSID10973256
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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