Basic information
- Standard SMILES
O=C(N[C@H]1CCCC[C@@H]1O)c1cc(Br)c(OCC(F)(F)F)nc1C(F)(F)F- InChIKey
VTTUEZODUPOLJR-UWVGGRQHSA-N- Molecular formula
- C15H15BrF6N2O3
- Average molar mass
- 465.18 g/mol
Names & identifiers
- Preferred name
- 5-Bromo-N-((1S,2S)-2-hydroxy-cyclohexyl)-6-(2,2,2-trifluoro-ethoxy)-2-trifluoromethyl-nicotinamide
- IUPAC
- 5-bromo-N-[(1S,2S)-2-hydroxycyclohexyl]-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxamide
Names & synonyms
5-Bromo-N-((1S,2S)-2-hydroxy-cyclohexyl)-6-(2,2,2-trifluoro-ethoxy)-2-trifluoromethyl-nicotinamideSCHEMBL4243473
Database identifiers
- PubChem CID
- 86634802
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 71.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 519
Related reactions
2 records
Compound notes
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