3-butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one

C11H15F2NO — CID 178099166

IUPAC3-butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one
SMILESCCC(C)c1cccn(CC(F)F)c1=O
InChIInChI=1S/C11H15F2NO/c1-3-8(2)9-5-4-6-14(11(9)15)7-10(12)13/h4-6,8,10H,3,7H2,1-2H3
InChIKeyGEGWJPGSUCGGSS-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.63
Rot. Bonds4

About 3-butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one

3-butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one (PubChem CID 178099166) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 3-butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one.

Molecular Properties

Compound Name3-butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one
PubChem CID178099166
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name3-butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one
SMILESCCC(C)c1cccn(CC(F)F)c1=O
InChIInChI=1S/C11H15F2NO/c1-3-8(2)9-5-4-6-14(11(9)15)7-10(12)13/h4-6,8,10H,3,7H2,1-2H3
InChIKeyGEGWJPGSUCGGSS-UHFFFAOYSA-N
XLogP2.63
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(Cyclobutylmethyl)-5-(trifluoromethyl)pyridin-2-one
CID 84584960
1-[(3,3-Difluorocyclobutyl)methyl]-3-methylpyridin-2-one
CID 132299600
5-Propan-2-yl-1-(3,3,3-trifluoropropyl)pyridin-2-one
CID 58592703
(4,4-Difluoropiperidin-1-yl)-(4-methylcyclohexa-1,5-dien-1-yl)methanone
CID 70224442
1-(2,2-Dimethylpropyl)-5-propan-2-yl-3-(trifluoromethyl)pyridin-2-one
CID 90161780
N-iodo-N-(3,3,3-trifluoropropyl)cyclohexa-1,3-diene-1-carboxamide
CID 118271932
1-Methyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301544
1-Ethyl-3-propan-2-yl-5-(trifluoromethyl)pyridin-2-one
CID 118301545
3-(1,1-Difluoroethyl)-1-methylpyridin-2-one
CID 118857990
4-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 126548286
1,6-Dimethyl-3-pentan-2-yl-4-(trifluoromethyl)pyridin-2-one
CID 134418673
5-Propan-2-yl-1-(2,2,2-trifluoroethyl)pyridin-2-one
CID 138715796

Frequently Asked Questions

What is the IUPAC name of 3-butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one?
The IUPAC name of 3-butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one (CID 178099166) is 3-butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one.
What is the SMILES notation for 3-butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one?
The canonical SMILES for 3-butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one is CCC(C)c1cccn(CC(F)F)c1=O.
What is the InChIKey of 3-butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one?
The InChIKey is GEGWJPGSUCGGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-3-8(2)9-5-4-6-14(11(9)15)7-10(12)13/h4-6,8,10H,3,7H2,1-2H3.
What are the key properties of 3-butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one?
3-butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one has a molecular weight of 215.24 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butan-2-yl-1-(2,2-difluoroethyl)pyridin-2-one is sourced from PubChem (CID 178099166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).