3-(2,2-difluoropropylamino)-1-propan-2-ylpyridin-2-one

C11H16F2N2O — CID 159723528

IUPAC3-(2,2-difluoropropylamino)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cccc(NCC(C)(F)F)c1=O
InChIInChI=1S/C11H16F2N2O/c1-8(2)15-6-4-5-9(10(15)16)14-7-11(3,12)13/h4-6,8,14H,7H2,1-3H3
InChIKeyYLJKMJPVHJMWEO-UHFFFAOYSA-N
MW230.26 g/mol
LogP2.50
Rot. Bonds4

About 3-(2,2-difluoropropylamino)-1-propan-2-ylpyridin-2-one

3-(2,2-difluoropropylamino)-1-propan-2-ylpyridin-2-one (PubChem CID 159723528) has the molecular formula C11H16F2N2O and a molecular weight of 230.26 g/mol. Its IUPAC name is 3-(2,2-difluoropropylamino)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(2,2-difluoropropylamino)-1-propan-2-ylpyridin-2-one
PubChem CID159723528
Molecular FormulaC11H16F2N2O
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name3-(2,2-difluoropropylamino)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cccc(NCC(C)(F)F)c1=O
InChIInChI=1S/C11H16F2N2O/c1-8(2)15-6-4-5-9(10(15)16)14-7-11(3,12)13/h4-6,8,14H,7H2,1-3H3
InChIKeyYLJKMJPVHJMWEO-UHFFFAOYSA-N
XLogP2.50
TPSA34.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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3-Amino-1-(2,2,2-trifluoroethyl)-1,2-dihydropyridin-2-one
CID 62101459
3-Amino-1-(1-methylethyl)-2(1H)-pyridinone
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2-(3-acetamido-2-oxo-1-pyridinyl)-N-propan-2-ylacetamide
CID 45268243
2-[2-oxo-3-(propylamino)-1-pyridinyl]-N-propylacetamide
CID 45271636
2-(3-acetamido-2-oxo-1-pyridinyl)-N-propylacetamide
CID 45272533
3-Amino-1-(2,2-difluoroethyl)-1,2-dihydropyridin-2-one
CID 62101956
2,2-dimethyl-N-[2-oxo-2-[[2-oxo-1-(2,2,2-trifluoroethyl)-3-pyridinyl]amino]ethyl]propanamide
CID 71971522
N~2~-methyl-N~1~-[3-(6-methyl-2-oxopyridin-1(2H)-yl)propyl]-L-alaninamide
CID 91828411
N-[2-oxo-1-(2,2,2-trifluoroethyl)pyridin-3-yl]acetamide
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2,2,2-trifluoro-N-(2-hydroxypyridin-3-yl)acetamide
CID 18672177

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoropropylamino)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-(2,2-difluoropropylamino)-1-propan-2-ylpyridin-2-one (CID 159723528) is 3-(2,2-difluoropropylamino)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-(2,2-difluoropropylamino)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-(2,2-difluoropropylamino)-1-propan-2-ylpyridin-2-one is CC(C)n1cccc(NCC(C)(F)F)c1=O.
What is the InChIKey of 3-(2,2-difluoropropylamino)-1-propan-2-ylpyridin-2-one?
The InChIKey is YLJKMJPVHJMWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F2N2O/c1-8(2)15-6-4-5-9(10(15)16)14-7-11(3,12)13/h4-6,8,14H,7H2,1-3H3.
What are the key properties of 3-(2,2-difluoropropylamino)-1-propan-2-ylpyridin-2-one?
3-(2,2-difluoropropylamino)-1-propan-2-ylpyridin-2-one has a molecular weight of 230.26 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoropropylamino)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 159723528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).