2H-Quinolizin-2-axial-ol, octahydro-2-equatorial-(alpha,alpha,alpha-trifluoro-m-tolyl)-
Basic information
- CAS
57661-31-1- Standard SMILES
OC1(c2cccc(C(F)(F)F)c2)CCN2CCCCC2C1- InChIKey
OABKVAHOXRFSNU-UHFFFAOYSA-N- Molecular formula
- C16H20F3NO
- Average molar mass
- 299.33 g/mol
- Monoisotopic mass
- 299.14969875
Names & identifiers
- Preferred name
- 2H-Quinolizin-2-axial-ol, octahydro-2-equatorial-(alpha,alpha,alpha-trifluoro-m-tolyl)-
- IUPAC
- 2-[3-(trifluoromethyl)phenyl]-1,3,4,6,7,8,9,9a-octahydroquinolizin-2-ol
Names & synonyms
2H-Quinolizin-2-axial-ol, octahydro-2-equatorial-(alpha,alpha,alpha-trifluoro-m-tolyl)-57661-31-1RefChem:10653312-axial-Hydroxy-2-equatorial-(3-trifluorophenyl)quinolizidine2-axial-Hydroxy-2-equatorial-(alpha,alpha,alpha-trifluoro-m-tolyl)quinolizidine
Database identifiers
- CAS
57661-31-1- PubChem CID
- 108372
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
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Compound notes
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