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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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).