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

C12H12F3NO3 — CID 163370283

IUPAC6-(4-oxocyclohexyl)-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=C1CCC(c2[nH]c(=O)ccc2OC(F)(F)F)CC1
InChIInChI=1S/C12H12F3NO3/c13-12(14,15)19-9-5-6-10(18)16-11(9)7-1-3-8(17)4-2-7/h5-7H,1-4H2,(H,16,18)
InChIKeyAGNKOGFIMPMWEH-UHFFFAOYSA-N
MW275.23 g/mol
LogP2.50
Rot. Bonds2

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

6-(4-oxocyclohexyl)-5-(trifluoromethoxy)-1H-pyridin-2-one (PubChem CID 163370283) has the molecular formula C12H12F3NO3 and a molecular weight of 275.23 g/mol. Its IUPAC name is 6-(4-oxocyclohexyl)-5-(trifluoromethoxy)-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(4-oxocyclohexyl)-5-(trifluoromethoxy)-1H-pyridin-2-one
PubChem CID163370283
Molecular FormulaC12H12F3NO3
Molecular Weight275.23 g/mol
Exact Mass275.08
IUPAC Name6-(4-oxocyclohexyl)-5-(trifluoromethoxy)-1H-pyridin-2-one
SMILESO=C1CCC(c2[nH]c(=O)ccc2OC(F)(F)F)CC1
InChIInChI=1S/C12H12F3NO3/c13-12(14,15)19-9-5-6-10(18)16-11(9)7-1-3-8(17)4-2-7/h5-7H,1-4H2,(H,16,18)
InChIKeyAGNKOGFIMPMWEH-UHFFFAOYSA-N
XLogP2.50
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.23
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(4-oxocyclohexyl)-5-(trifluoromethoxy)-1H-pyridin-2-one?
The IUPAC name of 6-(4-oxocyclohexyl)-5-(trifluoromethoxy)-1H-pyridin-2-one (CID 163370283) is 6-(4-oxocyclohexyl)-5-(trifluoromethoxy)-1H-pyridin-2-one.
What is the SMILES notation for 6-(4-oxocyclohexyl)-5-(trifluoromethoxy)-1H-pyridin-2-one?
The canonical SMILES for 6-(4-oxocyclohexyl)-5-(trifluoromethoxy)-1H-pyridin-2-one is O=C1CCC(c2[nH]c(=O)ccc2OC(F)(F)F)CC1.
What is the InChIKey of 6-(4-oxocyclohexyl)-5-(trifluoromethoxy)-1H-pyridin-2-one?
The InChIKey is AGNKOGFIMPMWEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO3/c13-12(14,15)19-9-5-6-10(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-(trifluoromethoxy)-1H-pyridin-2-one?
6-(4-oxocyclohexyl)-5-(trifluoromethoxy)-1H-pyridin-2-one has a molecular weight of 275.23 g/mol, XLogP of 2.50, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-oxocyclohexyl)-5-(trifluoromethoxy)-1H-pyridin-2-one is sourced from PubChem (CID 163370283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).