3-ethyl-5-fluoro-1-propan-2-ylpyridin-2-one

C10H14FNO — CID 138466467

IUPAC3-ethyl-5-fluoro-1-propan-2-ylpyridin-2-one
SMILESCCc1cc(F)cn(C(C)C)c1=O
InChIInChI=1S/C10H14FNO/c1-4-8-5-9(11)6-12(7(2)3)10(8)13/h5-7H,4H2,1-3H3
InChIKeyCRQCVIHYBCOJSO-UHFFFAOYSA-N
MW183.23 g/mol
LogP2.13
Rot. Bonds2

About 3-ethyl-5-fluoro-1-propan-2-ylpyridin-2-one

3-ethyl-5-fluoro-1-propan-2-ylpyridin-2-one (PubChem CID 138466467) has the molecular formula C10H14FNO and a molecular weight of 183.23 g/mol. Its IUPAC name is 3-ethyl-5-fluoro-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-ethyl-5-fluoro-1-propan-2-ylpyridin-2-one
PubChem CID138466467
Molecular FormulaC10H14FNO
Molecular Weight183.23 g/mol
Exact Mass183.11
IUPAC Name3-ethyl-5-fluoro-1-propan-2-ylpyridin-2-one
SMILESCCc1cc(F)cn(C(C)C)c1=O
InChIInChI=1S/C10H14FNO/c1-4-8-5-9(11)6-12(7(2)3)10(8)13/h5-7H,4H2,1-3H3
InChIKeyCRQCVIHYBCOJSO-UHFFFAOYSA-N
XLogP2.13
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
CID 15399691
3-Fluoro-5-methyl-1-propan-2-ylpyridin-2-one
CID 57640466
5-Fluoro-3-methyl-1-propan-2-ylpyridin-2-one
CID 57640641
1-(2-Methylidenebutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57985838
1-Ethyl-5-(trifluoromethyl)pyridin-2-one
CID 58147747
1-(2-Methylpropyl)-5-(trifluoromethyl)pyridin-2-one
CID 67473511
(6E)-6-[(E)-2-fluoropent-2-enylidene]-5-methylidene-1-propylpyridin-2-one
CID 71032511
1-Propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 84314129
1-(2-Fluoroethyl)-5-methylpyridin-2-one
CID 84409535
5-Methyl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 89642068
5-Fluoro-1,3-di(propan-2-yl)pyridin-2-one
CID 89728117
5-Methyl-1-(2-methylpropyl)-3-(trifluoromethyl)pyridin-2-one
CID 90064732

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-fluoro-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-ethyl-5-fluoro-1-propan-2-ylpyridin-2-one (CID 138466467) is 3-ethyl-5-fluoro-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-ethyl-5-fluoro-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-ethyl-5-fluoro-1-propan-2-ylpyridin-2-one is CCc1cc(F)cn(C(C)C)c1=O.
What is the InChIKey of 3-ethyl-5-fluoro-1-propan-2-ylpyridin-2-one?
The InChIKey is CRQCVIHYBCOJSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FNO/c1-4-8-5-9(11)6-12(7(2)3)10(8)13/h5-7H,4H2,1-3H3.
What are the key properties of 3-ethyl-5-fluoro-1-propan-2-ylpyridin-2-one?
3-ethyl-5-fluoro-1-propan-2-ylpyridin-2-one has a molecular weight of 183.23 g/mol, XLogP of 2.13, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-fluoro-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 138466467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).