MQF

5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid

Created: 2023-05-05
Last modified:  2023-06-14

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Chemical Details

Formal Charge0
Atom Count40
Chiral Atom Count0
Bond Count41
Aromatic Bond Count6
2D diagram of MQF

Chemical Component Summary

Name5-cyclohexyl-6-(2,2,2-trifluoroethoxy)-2-(trifluoromethyl)pyridine-3-carboxylic acid
Systematic Name (OpenEye OEToolkits)5-cyclohexyl-2-(trifluoromethyl)-6-[2,2,2-tris(fluoranyl)ethoxy]pyridine-3-carboxylic acid
FormulaC15 H15 F6 N O3
Molecular Weight371.275
TypeNON-POLYMER

Chemical Descriptors

TypeProgram Version Descriptor
SMILESACDLabs12.01FC(F)(F)c1nc(OCC(F)(F)F)c(cc1C(=O)O)C1CCCCC1
SMILESCACTVS3.385OC(=O)c1cc(C2CCCCC2)c(OCC(F)(F)F)nc1C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1c(c(nc(c1C(=O)O)C(F)(F)F)OCC(F)(F)F)C2CCCCC2
Canonical SMILESCACTVS3.385 OC(=O)c1cc(C2CCCCC2)c(OCC(F)(F)F)nc1C(F)(F)F
Canonical SMILESOpenEye OEToolkits2.0.7 c1c(c(nc(c1C(=O)O)C(F)(F)F)OCC(F)(F)F)C2CCCCC2
InChIInChI1.06 InChI=1S/C15H15F6NO3/c16-14(17,18)7-25-12-9(8-4-2-1-3-5-8)6-10(13(23)24)11(22-12)15(19,20)21/h6,8H,1-5,7H2,(H,23,24)
InChIKeyInChI1.06 VMXXXSZHNFUKFZ-UHFFFAOYSA-N

Related Resource References

Resource NameReference
PubChem 168300845