Methyl 5-cyclohexyl-6-(2,2,2-trifluoroethoxy)nicotinate

HCID 71294015

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

Related reactions

4 records

Compound notes

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