6-cyclohexyl-3,5-difluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one

C12H14F3NO2 — CID 54761670

IUPAC6-cyclohexyl-3,5-difluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one
SMILESO=c1c(F)c(CF)c(F)c(C2CCCCC2)n1O
InChIInChI=1S/C12H14F3NO2/c13-6-8-9(14)11(7-4-2-1-3-5-7)16(18)12(17)10(8)15/h7,18H,1-6H2
InChIKeyZCNRPZLDQAKNCS-UHFFFAOYSA-N
MW261.24 g/mol
LogP2.88
Rot. Bonds2

About 6-cyclohexyl-3,5-difluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one

6-cyclohexyl-3,5-difluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one (PubChem CID 54761670) has the molecular formula C12H14F3NO2 and a molecular weight of 261.24 g/mol. Its IUPAC name is 6-cyclohexyl-3,5-difluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-3,5-difluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one
PubChem CID54761670
Molecular FormulaC12H14F3NO2
Molecular Weight261.24 g/mol
Exact Mass261.10
IUPAC Name6-cyclohexyl-3,5-difluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one
SMILESO=c1c(F)c(CF)c(F)c(C2CCCCC2)n1O
InChIInChI=1S/C12H14F3NO2/c13-6-8-9(14)11(7-4-2-1-3-5-7)16(18)12(17)10(8)15/h7,18H,1-6H2
InChIKeyZCNRPZLDQAKNCS-UHFFFAOYSA-N
XLogP2.88
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 52.88
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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Related Compounds

Ciclopirox
CID 2749
6-(Cyclohexylmethyl)-1-hydroxy-4-methylpyridin-2-one
CID 21520138
6-Cyclohexyl-1-hydroxypyridin-2-one
CID 25069320
6-Cyclohexyl-4-ethyl-1-hydroxypyridin-2-one
CID 155539656
6-Cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one
CID 54762032
6-Cyclohexyl-3,5-difluoro-1-hydroxy-4-(hydroxymethyl)pyridin-2-one
CID 54759291
6-(1-Fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one
CID 54759677
3-Fluoro-6-(1-fluorocyclohexyl)-1-hydroxy-4-methylpyridin-2-one
CID 54759678
6-Cyclohexyl-3-fluoro-1-hydroxy-4-methylpyridin-2-one
CID 54760966
6-Cyclohexyl-5-fluoro-1-hydroxy-4-methylpyridin-2-one
CID 54760968
6-Cyclohexyl-3,5-difluoro-1-hydroxy-4-methylpyridin-2-one
CID 54760970
6-Cyclohexyl-4-(fluoromethyl)-1-hydroxypyridin-2-one
CID 54761662

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3,5-difluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one?
The IUPAC name of 6-cyclohexyl-3,5-difluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one (CID 54761670) is 6-cyclohexyl-3,5-difluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-3,5-difluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one?
The canonical SMILES for 6-cyclohexyl-3,5-difluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one is O=c1c(F)c(CF)c(F)c(C2CCCCC2)n1O.
What is the InChIKey of 6-cyclohexyl-3,5-difluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one?
The InChIKey is ZCNRPZLDQAKNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO2/c13-6-8-9(14)11(7-4-2-1-3-5-7)16(18)12(17)10(8)15/h7,18H,1-6H2.
What are the key properties of 6-cyclohexyl-3,5-difluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one?
6-cyclohexyl-3,5-difluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one has a molecular weight of 261.24 g/mol, XLogP of 2.88, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3,5-difluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one is sourced from PubChem (CID 54761670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).