3-(1-fluoroethyl)-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one

C14H18FNO2 — CID 156728469

IUPAC3-(1-fluoroethyl)-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one
SMILESCC1CCC(=O)C(n2cccc(C(C)F)c2=O)C1
InChIInChI=1S/C14H18FNO2/c1-9-5-6-13(17)12(8-9)16-7-3-4-11(10(2)15)14(16)18/h3-4,7,9-10,12H,5-6,8H2,1-2H3
InChIKeyMAHLIZPJPHIHJK-UHFFFAOYSA-N
MW251.30 g/mol
LogP2.81
Rot. Bonds2

About 3-(1-fluoroethyl)-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one

3-(1-fluoroethyl)-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one (PubChem CID 156728469) has the molecular formula C14H18FNO2 and a molecular weight of 251.30 g/mol. Its IUPAC name is 3-(1-fluoroethyl)-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one.

Molecular Properties

Compound Name3-(1-fluoroethyl)-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one
PubChem CID156728469
Molecular FormulaC14H18FNO2
Molecular Weight251.30 g/mol
Exact Mass251.13
IUPAC Name3-(1-fluoroethyl)-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one
SMILESCC1CCC(=O)C(n2cccc(C(C)F)c2=O)C1
InChIInChI=1S/C14H18FNO2/c1-9-5-6-13(17)12(8-9)16-7-3-4-11(10(2)15)14(16)18/h3-4,7,9-10,12H,5-6,8H2,1-2H3
InChIKeyMAHLIZPJPHIHJK-UHFFFAOYSA-N
XLogP2.81
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.30
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(1-fluoroethyl)-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one?
The IUPAC name of 3-(1-fluoroethyl)-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one (CID 156728469) is 3-(1-fluoroethyl)-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one.
What is the SMILES notation for 3-(1-fluoroethyl)-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one?
The canonical SMILES for 3-(1-fluoroethyl)-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one is CC1CCC(=O)C(n2cccc(C(C)F)c2=O)C1.
What is the InChIKey of 3-(1-fluoroethyl)-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one?
The InChIKey is MAHLIZPJPHIHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO2/c1-9-5-6-13(17)12(8-9)16-7-3-4-11(10(2)15)14(16)18/h3-4,7,9-10,12H,5-6,8H2,1-2H3.
What are the key properties of 3-(1-fluoroethyl)-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one?
3-(1-fluoroethyl)-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one has a molecular weight of 251.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-fluoroethyl)-1-(5-methyl-2-oxocyclohexyl)pyridin-2-one is sourced from PubChem (CID 156728469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).