6-cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one

C12H14F3NO2 — CID 54762032

IUPAC6-cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(C2CCCCC2)n1O
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)9-6-10(16(18)11(17)7-9)8-4-2-1-3-5-8/h6-8,18H,1-5H2
InChIKeyCZTOFQPCGXFTRX-UHFFFAOYSA-N
MW261.24 g/mol
LogP3.15
Rot. Bonds1

About 6-cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one

6-cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one (PubChem CID 54762032) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 6-cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one
PubChem CID54762032
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name6-cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one
SMILESO=c1cc(C(F)(F)F)cc(C2CCCCC2)n1O
InChIInChI=1S/C12H14F3NO2/c13-12(14,15)9-6-10(16(18)11(17)7-9)8-4-2-1-3-5-8/h6-8,18H,1-5H2
InChIKeyCZTOFQPCGXFTRX-UHFFFAOYSA-N
XLogP3.15
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one?
The IUPAC name of 6-cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one (CID 54762032) is 6-cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one?
The canonical SMILES for 6-cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one is O=c1cc(C(F)(F)F)cc(C2CCCCC2)n1O.
What is the InChIKey of 6-cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one?
The InChIKey is CZTOFQPCGXFTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-12(14,15)9-6-10(16(18)11(17)7-9)8-4-2-1-3-5-8/h6-8,18H,1-5H2.
What are the key properties of 6-cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one?
6-cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one has a molecular weight of 261.24 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one is sourced from PubChem (CID 54762032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).