5-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one

C11H16FNO2 — CID 178099286

IUPAC5-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
SMILESCOCCn1cc(F)cc(C(C)C)c1=O
InChIInChI=1S/C11H16FNO2/c1-8(2)10-6-9(12)7-13(11(10)14)4-5-15-3/h6-8H,4-5H2,1-3H3
InChIKeyKZRNDWWJQMLZRM-UHFFFAOYSA-N
MW213.25 g/mol
LogP1.76
Rot. Bonds4

About 5-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one

5-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one (PubChem CID 178099286) has the molecular formula C11H16FNO2 and a molecular weight of 213.25 g/mol. Its IUPAC name is 5-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
PubChem CID178099286
Molecular FormulaC11H16FNO2
Molecular Weight213.25 g/mol
Exact Mass213.12
IUPAC Name5-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
SMILESCOCCn1cc(F)cc(C(C)C)c1=O
InChIInChI=1S/C11H16FNO2/c1-8(2)10-6-9(12)7-13(11(10)14)4-5-15-3/h6-8H,4-5H2,1-3H3
InChIKeyKZRNDWWJQMLZRM-UHFFFAOYSA-N
XLogP1.76
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.25
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-{[ethyl(2-methylallyl)amino]methyl}-1-(2-methoxyethyl)-2(1H)-pyridinone
CID 53191683
1-(2-Methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 84313614
5-Fluoro-1,3-di(propan-2-yl)pyridin-2-one
CID 89728117
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301545
(2Z)-2-(1-fluoropropylidene)-5-methyl-1-morpholin-4-ylhepta-3,6-dien-1-one
CID 144144180
N,5-diethyl-2-(fluoromethyl)-N-(2-methoxyethyl)cyclohepta-1,3,6-triene-1-carboxamide
CID 144144338
(3Z)-N-[2-(1,1-difluoroethoxy)ethyl]-6-methyl-4-methylidene-3-[[methyl(2-methylbutyl)amino]methylidene]cyclohexa-1,5-diene-1-carboxamide
CID 144747832
1-Ethyl-5-fluoro-3-propan-2-ylpyridin-2-one
CID 155119422
Ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041508
Ethane;3-ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041510
3-Ethyl-1-(2-methoxyethyl)-5-(trifluoromethyl)pyridin-2-one
CID 157041511
Ethane;1-(3-morpholin-4-ylpropyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041812

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one?
The IUPAC name of 5-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one (CID 178099286) is 5-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one is COCCn1cc(F)cc(C(C)C)c1=O.
What is the InChIKey of 5-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one?
The InChIKey is KZRNDWWJQMLZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2/c1-8(2)10-6-9(12)7-13(11(10)14)4-5-15-3/h6-8H,4-5H2,1-3H3.
What are the key properties of 5-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one?
5-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one has a molecular weight of 213.25 g/mol, XLogP of 1.76, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one is sourced from PubChem (CID 178099286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).