3-butan-2-yl-4-fluoro-1-(2-methoxyethyl)pyridin-2-one

C12H18FNO2 — CID 178099300

IUPAC3-butan-2-yl-4-fluoro-1-(2-methoxyethyl)pyridin-2-one
SMILESCCC(C)c1c(F)ccn(CCOC)c1=O
InChIInChI=1S/C12H18FNO2/c1-4-9(2)11-10(13)5-6-14(12(11)15)7-8-16-3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyUWDWVJXTFCSWKT-UHFFFAOYSA-N
MW227.28 g/mol
LogP2.15
Rot. Bonds5

About 3-butan-2-yl-4-fluoro-1-(2-methoxyethyl)pyridin-2-one

3-butan-2-yl-4-fluoro-1-(2-methoxyethyl)pyridin-2-one (PubChem CID 178099300) has the molecular formula C12H18FNO2 and a molecular weight of 227.28 g/mol. Its IUPAC name is 3-butan-2-yl-4-fluoro-1-(2-methoxyethyl)pyridin-2-one.

Molecular Properties

Compound Name3-butan-2-yl-4-fluoro-1-(2-methoxyethyl)pyridin-2-one
PubChem CID178099300
Molecular FormulaC12H18FNO2
Molecular Weight227.28 g/mol
Exact Mass227.13
IUPAC Name3-butan-2-yl-4-fluoro-1-(2-methoxyethyl)pyridin-2-one
SMILESCCC(C)c1c(F)ccn(CCOC)c1=O
InChIInChI=1S/C12H18FNO2/c1-4-9(2)11-10(13)5-6-14(12(11)15)7-8-16-3/h5-6,9H,4,7-8H2,1-3H3
InChIKeyUWDWVJXTFCSWKT-UHFFFAOYSA-N
XLogP2.15
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.28
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Ethane;1-(2-methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041508
3-Butan-2-yl-1-[2-(difluoromethoxy)ethyl]pyridin-2-one
CID 178099196
5-Fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178099286
6-Fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178099296
1-[2-(Difluoromethoxy)ethyl]-3-propan-2-ylpyridin-2-one
CID 178099342
4-Fluoro-1-(2-methoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178099357
1-(2-Methoxyethyl)-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 157041509
5-Cyclopropyl-3-ethyl-1-(2-methoxyethyl)pyridin-2-one;ethane
CID 167449283
1-(2-Methoxyethyl)-3-(2-methylpropanoyl)pyridin-2-one
CID 172376817
1-(2-Ethoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178098981
1-(2-Methoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178099038
Ethane;1-(2-ethoxyethyl)-3-propan-2-ylpyridin-2-one
CID 178099126

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-4-fluoro-1-(2-methoxyethyl)pyridin-2-one?
The IUPAC name of 3-butan-2-yl-4-fluoro-1-(2-methoxyethyl)pyridin-2-one (CID 178099300) is 3-butan-2-yl-4-fluoro-1-(2-methoxyethyl)pyridin-2-one.
What is the SMILES notation for 3-butan-2-yl-4-fluoro-1-(2-methoxyethyl)pyridin-2-one?
The canonical SMILES for 3-butan-2-yl-4-fluoro-1-(2-methoxyethyl)pyridin-2-one is CCC(C)c1c(F)ccn(CCOC)c1=O.
What is the InChIKey of 3-butan-2-yl-4-fluoro-1-(2-methoxyethyl)pyridin-2-one?
The InChIKey is UWDWVJXTFCSWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2/c1-4-9(2)11-10(13)5-6-14(12(11)15)7-8-16-3/h5-6,9H,4,7-8H2,1-3H3.
What are the key properties of 3-butan-2-yl-4-fluoro-1-(2-methoxyethyl)pyridin-2-one?
3-butan-2-yl-4-fluoro-1-(2-methoxyethyl)pyridin-2-one has a molecular weight of 227.28 g/mol, XLogP of 2.15, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-4-fluoro-1-(2-methoxyethyl)pyridin-2-one is sourced from PubChem (CID 178099300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).