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

C12H18F2N2O — CID 146182942

IUPAC5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(CN(C)CC(F)F)ccc1=O
InChIInChI=1S/C12H18F2N2O/c1-9(2)16-7-10(4-5-12(16)17)6-15(3)8-11(13)14/h4-5,7,9,11H,6,8H2,1-3H3
InChIKeyIZJXTLYMYOLGJO-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.13
Rot. Bonds5

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

5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-2-one (PubChem CID 146182942) has the molecular formula C12H18F2N2O and a molecular weight of 244.28 g/mol. Its IUPAC name is 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-2-one
PubChem CID146182942
Molecular FormulaC12H18F2N2O
Molecular Weight244.28 g/mol
Exact Mass244.14
IUPAC Name5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(CN(C)CC(F)F)ccc1=O
InChIInChI=1S/C12H18F2N2O/c1-9(2)16-7-10(4-5-12(16)17)6-15(3)8-11(13)14/h4-5,7,9,11H,6,8H2,1-3H3
InChIKeyIZJXTLYMYOLGJO-UHFFFAOYSA-N
XLogP2.13
TPSA25.24 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Oxo-5-(trifluoromethyl)pyridin-1(2H)-yl)propanenitrile
CID 2736732
1-(3,3,3-Trifluoro-1-pentafluoroethyl-2-trifluorometh-ylpropenyl)-1h-pyridin-2-one
CID 12726242
5-Ethyl-1-propylpyridin-2-one
CID 13169254
1-[(1-Methyl-2-oxopyridin-4-yl)methyl]-5-(trifluoromethyl)pyridin-2-one
CID 53530146
1-(2-Oxopropyl)-5-(trifluoromethyl)-1,2-dihydropyridin-2-one
CID 60643006
(2Z)-N,N-dibutyl-4-methyl-2-(trifluoromethyl)penta-2,4-dienamide
CID 15399691
2-[3-Methyl-2-oxo-5-(trifluoromethyl)pyridin-1-yl]acetonitrile
CID 14836978
2-[2-Oxo-5-(trifluoromethyl)-1,2-dihydropyridin-1-yl]acetonitrile
CID 14836987
3-Bromo-1-isopropyl-5-(trifluoromethyl)pyridin-2(1H)-one
CID 53217377
4-[2-Oxo-5-(trifluoromethyl)pyridin-1-yl]butanenitrile
CID 55027702
3-Fluoro-5-methyl-1-propan-2-ylpyridin-2-one
CID 57640466
1-(2-Methylidenebutyl)-5-(trifluoromethyl)pyridin-2-one
CID 57985838

Frequently Asked Questions

What is the IUPAC name of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-2-one (CID 146182942) is 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(CN(C)CC(F)F)ccc1=O.
What is the InChIKey of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-2-one?
The InChIKey is IZJXTLYMYOLGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F2N2O/c1-9(2)16-7-10(4-5-12(16)17)6-15(3)8-11(13)14/h4-5,7,9,11H,6,8H2,1-3H3.
What are the key properties of 5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-2-one?
5-[[2,2-difluoroethyl(methyl)amino]methyl]-1-propan-2-ylpyridin-2-one has a molecular weight of 244.28 g/mol, XLogP of 2.13, 5 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-propan-2-ylpyridin-2-one is sourced from PubChem (CID 146182942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).