6-(4-oxocyclohexyl)-5-(trifluoromethyl)-1H-pyridin-2-one

C12H12F3NO2 — CID 163370298

IUPAC6-(4-oxocyclohexyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C1CCC(c2[nH]c(=O)ccc2C(F)(F)F)CC1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)9-5-6-10(18)16-11(9)7-1-3-8(17)4-2-7/h5-7H,1-4H2,(H,16,18)
InChIKeyOWUHGIQSKLVAIY-UHFFFAOYSA-N
MW259.23 g/mol
LogP2.62
Rot. Bonds1

About 6-(4-oxocyclohexyl)-5-(trifluoromethyl)-1H-pyridin-2-one

6-(4-oxocyclohexyl)-5-(trifluoromethyl)-1H-pyridin-2-one (PubChem CID 163370298) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 6-(4-oxocyclohexyl)-5-(trifluoromethyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-oxocyclohexyl)-5-(trifluoromethyl)-1H-pyridin-2-one
PubChem CID163370298
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name6-(4-oxocyclohexyl)-5-(trifluoromethyl)-1H-pyridin-2-one
SMILESO=C1CCC(c2[nH]c(=O)ccc2C(F)(F)F)CC1
InChIInChI=1S/C12H12F3NO2/c13-12(14,15)9-5-6-10(18)16-11(9)7-1-3-8(17)4-2-7/h5-7H,1-4H2,(H,16,18)
InChIKeyOWUHGIQSKLVAIY-UHFFFAOYSA-N
XLogP2.62
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-(4-oxocyclohexyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The IUPAC name of 6-(4-oxocyclohexyl)-5-(trifluoromethyl)-1H-pyridin-2-one (CID 163370298) is 6-(4-oxocyclohexyl)-5-(trifluoromethyl)-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-oxocyclohexyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The canonical SMILES for 6-(4-oxocyclohexyl)-5-(trifluoromethyl)-1H-pyridin-2-one is O=C1CCC(c2[nH]c(=O)ccc2C(F)(F)F)CC1.
What is the InChIKey of 6-(4-oxocyclohexyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
The InChIKey is OWUHGIQSKLVAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c13-12(14,15)9-5-6-10(18)16-11(9)7-1-3-8(17)4-2-7/h5-7H,1-4H2,(H,16,18).
What are the key properties of 6-(4-oxocyclohexyl)-5-(trifluoromethyl)-1H-pyridin-2-one?
6-(4-oxocyclohexyl)-5-(trifluoromethyl)-1H-pyridin-2-one has a molecular weight of 259.23 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-oxocyclohexyl)-5-(trifluoromethyl)-1H-pyridin-2-one is sourced from PubChem (CID 163370298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).