5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyridin-2-one

C10H14F2N2O — CID 146182948

IUPAC5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyridin-2-one
SMILESCN(Cc1ccc(=O)n(C)c1)CC(F)F
InChIInChI=1S/C10H14F2N2O/c1-13(7-9(11)12)5-8-3-4-10(15)14(2)6-8/h3-4,6,9H,5,7H2,1-2H3
InChIKeyWUDALMVCUHTYDO-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.08
Rot. Bonds4

About 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyridin-2-one

5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyridin-2-one (PubChem CID 146182948) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyridin-2-one.

Molecular Properties

Compound Name5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyridin-2-one
PubChem CID146182948
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyridin-2-one
SMILESCN(Cc1ccc(=O)n(C)c1)CC(F)F
InChIInChI=1S/C10H14F2N2O/c1-13(7-9(11)12)5-8-3-4-10(15)14(2)6-8/h3-4,6,9H,5,7H2,1-2H3
InChIKeyWUDALMVCUHTYDO-UHFFFAOYSA-N
XLogP1.08
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyridin-2-one?
The IUPAC name of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyridin-2-one (CID 146182948) is 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyridin-2-one.
What is the SMILES notation for 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyridin-2-one?
The canonical SMILES for 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyridin-2-one is CN(Cc1ccc(=O)n(C)c1)CC(F)F.
What is the InChIKey of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyridin-2-one?
The InChIKey is WUDALMVCUHTYDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-13(7-9(11)12)5-8-3-4-10(15)14(2)6-8/h3-4,6,9H,5,7H2,1-2H3.
What are the key properties of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyridin-2-one?
5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyridin-2-one has a molecular weight of 216.23 g/mol, XLogP of 1.08, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-methylpyridin-2-one is sourced from PubChem (CID 146182948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).