6-cyclohexyl-3-fluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one

C12H15F2NO2 — CID 54761666

IUPAC6-cyclohexyl-3-fluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one
SMILESO=c1c(F)c(CF)cc(C2CCCCC2)n1O
InChIInChI=1S/C12H15F2NO2/c13-7-9-6-10(8-4-2-1-3-5-8)15(17)12(16)11(9)14/h6,8,17H,1-5,7H2
InChIKeyOXODOEFTJWIEGY-UHFFFAOYSA-N
MW243.25 g/mol
LogP2.74
Rot. Bonds2

About 6-cyclohexyl-3-fluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one

6-cyclohexyl-3-fluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one (PubChem CID 54761666) has the molecular formula C12H15F2NO2 and a molecular weight of 243.25 g/mol. Its IUPAC name is 6-cyclohexyl-3-fluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-3-fluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one
PubChem CID54761666
Molecular FormulaC12H15F2NO2
Molecular Weight243.25 g/mol
Exact Mass243.11
IUPAC Name6-cyclohexyl-3-fluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one
SMILESO=c1c(F)c(CF)cc(C2CCCCC2)n1O
InChIInChI=1S/C12H15F2NO2/c13-7-9-6-10(8-4-2-1-3-5-8)15(17)12(16)11(9)14/h6,8,17H,1-5,7H2
InChIKeyOXODOEFTJWIEGY-UHFFFAOYSA-N
XLogP2.74
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.25
LogP ≤ 52.74
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
Piroctone
CID 50259
6-(Cyclohexylmethyl)-1-hydroxy-4-methylpyridin-2-one
CID 21520138
6-Cyclohexyl-1-hydroxypyridin-2-one
CID 25069320
6-Cyclopentyl-1-hydroxy-4-methylpyridin-2-one
CID 13590962
3-Bromo-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
CID 139553634
6-Cyclohexyl-4-ethyl-1-hydroxypyridin-2-one
CID 155539656
3-Chloro-6-cyclohexyl-1-hydroxy-4-methylpyridin-2-one
CID 155538721
6-Cyclohexyl-1-hydroxy-3-iodo-4-methylpyridin-2-one
CID 139553636
6-Cyclohexyl-1-ethoxy-4-methylpyridin-2-one
CID 144392814
6-Cyclohexyl-4-methyl-2-oxopyridin-1(2h)-yl acetate
CID 54759672
6-Cyclohexyl-1-hydroxy-4-(trifluoromethyl)pyridin-2-one
CID 54762032

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-3-fluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one?
The IUPAC name of 6-cyclohexyl-3-fluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one (CID 54761666) is 6-cyclohexyl-3-fluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-3-fluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one?
The canonical SMILES for 6-cyclohexyl-3-fluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one is O=c1c(F)c(CF)cc(C2CCCCC2)n1O.
What is the InChIKey of 6-cyclohexyl-3-fluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one?
The InChIKey is OXODOEFTJWIEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO2/c13-7-9-6-10(8-4-2-1-3-5-8)15(17)12(16)11(9)14/h6,8,17H,1-5,7H2.
What are the key properties of 6-cyclohexyl-3-fluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one?
6-cyclohexyl-3-fluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one has a molecular weight of 243.25 g/mol, XLogP of 2.74, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-3-fluoro-4-(fluoromethyl)-1-hydroxypyridin-2-one is sourced from PubChem (CID 54761666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).