4-(4-ethylcyclohexyl)-5-fluoro-1H-pyridin-2-one

C13H18FNO — CID 157164886

IUPAC4-(4-ethylcyclohexyl)-5-fluoro-1H-pyridin-2-one
SMILESCCC1CCC(c2cc(=O)[nH]cc2F)CC1
InChIInChI=1S/C13H18FNO/c1-2-9-3-5-10(6-4-9)11-7-13(16)15-8-12(11)14/h7-10H,2-6H2,1H3,(H,15,16)
InChIKeyAMUGCUIXCXYFFT-UHFFFAOYSA-N
MW223.29 g/mol
LogP3.20
Rot. Bonds2

About 4-(4-ethylcyclohexyl)-5-fluoro-1H-pyridin-2-one

4-(4-ethylcyclohexyl)-5-fluoro-1H-pyridin-2-one (PubChem CID 157164886) has the molecular formula C13H18FNO and a molecular weight of 223.29 g/mol. Its IUPAC name is 4-(4-ethylcyclohexyl)-5-fluoro-1H-pyridin-2-one.

Molecular Properties

Compound Name4-(4-ethylcyclohexyl)-5-fluoro-1H-pyridin-2-one
PubChem CID157164886
Molecular FormulaC13H18FNO
Molecular Weight223.29 g/mol
Exact Mass223.14
IUPAC Name4-(4-ethylcyclohexyl)-5-fluoro-1H-pyridin-2-one
SMILESCCC1CCC(c2cc(=O)[nH]cc2F)CC1
InChIInChI=1S/C13H18FNO/c1-2-9-3-5-10(6-4-9)11-7-13(16)15-8-12(11)14/h7-10H,2-6H2,1H3,(H,15,16)
InChIKeyAMUGCUIXCXYFFT-UHFFFAOYSA-N
XLogP3.20
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.29
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-pentan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 163237946
5-butan-2-yl-4-(trifluoromethyl)-1H-pyridin-2-one
CID 166738640
2-Hydroxy-5-(cyclohexyl)pyridine
CID 45788488
(2E)-N-methyl-2-(5-methyl-2-propan-2-ylcyclohexylidene)acetamide
CID 49779634
4,5-di(propan-2-yl)-1H-pyridin-2-one
CID 59706729
N-methyl-2-(5-methyl-2-propan-2-ylcyclohexylidene)acetamide
CID 66772151
(2E)-N-methyl-2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]acetamide
CID 68012282
4-heptan-4-yl-1H-pyridin-2-one
CID 70231856
4-ethyl-5-(2-methylbutan-2-yl)-1H-pyridin-2-one
CID 89282454
5-(5-cyclohexylpentyl)-1H-pyridin-2-one
CID 90424375
N-methyl-2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexylidene]acetamide
CID 123257281
5-(2-methylpentyl)-1H-pyridin-2-one
CID 126657275

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylcyclohexyl)-5-fluoro-1H-pyridin-2-one?
The IUPAC name of 4-(4-ethylcyclohexyl)-5-fluoro-1H-pyridin-2-one (CID 157164886) is 4-(4-ethylcyclohexyl)-5-fluoro-1H-pyridin-2-one.
What is the SMILES notation for 4-(4-ethylcyclohexyl)-5-fluoro-1H-pyridin-2-one?
The canonical SMILES for 4-(4-ethylcyclohexyl)-5-fluoro-1H-pyridin-2-one is CCC1CCC(c2cc(=O)[nH]cc2F)CC1.
What is the InChIKey of 4-(4-ethylcyclohexyl)-5-fluoro-1H-pyridin-2-one?
The InChIKey is AMUGCUIXCXYFFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FNO/c1-2-9-3-5-10(6-4-9)11-7-13(16)15-8-12(11)14/h7-10H,2-6H2,1H3,(H,15,16).
What are the key properties of 4-(4-ethylcyclohexyl)-5-fluoro-1H-pyridin-2-one?
4-(4-ethylcyclohexyl)-5-fluoro-1H-pyridin-2-one has a molecular weight of 223.29 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylcyclohexyl)-5-fluoro-1H-pyridin-2-one is sourced from PubChem (CID 157164886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).