Basic information
- Standard SMILES
COC(=O)c1cnc(OCC(F)(F)F)c(C2CCCCC2)c1- InChIKey
KJMHFARMACEBBD-UHFFFAOYSA-N- Molecular formula
- C15H18F3NO3
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.12387792
Names & identifiers
- Preferred name
- Methyl 5-cyclohexyl-6-(2,2,2-trifluoroethoxy)nicotinate
- IUPAC
- methyl 5-cyclohexyl-6-(2,2,2-trifluoroethoxy)pyridine-3-carboxylate
Names & synonyms
methyl 5-cyclohexyl-6-(2,2,2-trifluoroethoxy)nicotinateSCHEMBL147615335-Cyclohexyl-6-(2,2,2-trifluoroethoxy)nicotinic acid methyl ester5-Cyclohexyl-6-(2,2,2-trifluoro-ethoxy)-3-pyridinecarboxylic acid methyl ester5-Cyclohexyl-6-(2,2,2-trifluoroethoxy)-3-pyridinecarboxylic acid methyl ester
Database identifiers
- PubChem CID
- 71294015
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 48.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 370
Related reactions
4 records
Compound notes
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