6-(2,2-difluoroethoxy)-5-methyl-1H-pyridin-2-one

C8H9F2NO2 — CID 162046819

IUPAC6-(2,2-difluoroethoxy)-5-methyl-1H-pyridin-2-one
SMILESCc1ccc(=O)[nH]c1OCC(F)F
InChIInChI=1S/C8H9F2NO2/c1-5-2-3-7(12)11-8(5)13-4-6(9)10/h2-3,6H,4H2,1H3,(H,11,12)
InChIKeyYXZPLTODVMJCSH-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.33
Rot. Bonds3

About 6-(2,2-difluoroethoxy)-5-methyl-1H-pyridin-2-one

6-(2,2-difluoroethoxy)-5-methyl-1H-pyridin-2-one (PubChem CID 162046819) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-5-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)-5-methyl-1H-pyridin-2-one
PubChem CID162046819
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name6-(2,2-difluoroethoxy)-5-methyl-1H-pyridin-2-one
SMILESCc1ccc(=O)[nH]c1OCC(F)F
InChIInChI=1S/C8H9F2NO2/c1-5-2-3-7(12)11-8(5)13-4-6(9)10/h2-3,6H,4H2,1H3,(H,11,12)
InChIKeyYXZPLTODVMJCSH-UHFFFAOYSA-N
XLogP1.33
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-8-fluoro-2H-isoquinolin-3-one
CID 138974315
1-ethoxy-7-fluoro-2H-isoquinolin-3-one
CID 138974695
1-ethoxy-6-(trifluoromethyl)-2H-isoquinolin-3-one
CID 138975128
2-methoxy-6-oxo-5-(trifluoromethyl)-1H-pyridine-3-carbaldehyde
CID 164520833
6-(difluoromethoxy)-5-propan-2-yl-1H-pyridin-2-one
CID 176611274
5-but-3-enyl-6-methoxy-1H-pyridin-2-one
CID 164674208
1-ethoxy-2H-isoquinolin-3-one
CID 168330143
4-(Difluoromethyl)-6-methoxy-5-methylpyridin-2-ol
CID 118801364
4-(Difluoromethyl)-6-methoxy-5-(trifluoromethyl)pyridin-2-ol
CID 118811657
4-fluoro-5-methyl-6-(trifluoromethoxy)-1H-pyridin-2-one
CID 118827791
4-(Difluoromethyl)-5-methyl-6-(trifluoromethoxy)pyridin-2-ol
CID 118841027
5-(difluoromethyl)-4-fluoro-6-methoxy-1H-pyridin-2-one
CID 130079267

Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)-5-methyl-1H-pyridin-2-one?
The IUPAC name of 6-(2,2-difluoroethoxy)-5-methyl-1H-pyridin-2-one (CID 162046819) is 6-(2,2-difluoroethoxy)-5-methyl-1H-pyridin-2-one.
What is the SMILES notation for 6-(2,2-difluoroethoxy)-5-methyl-1H-pyridin-2-one?
The canonical SMILES for 6-(2,2-difluoroethoxy)-5-methyl-1H-pyridin-2-one is Cc1ccc(=O)[nH]c1OCC(F)F.
What is the InChIKey of 6-(2,2-difluoroethoxy)-5-methyl-1H-pyridin-2-one?
The InChIKey is YXZPLTODVMJCSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-5-2-3-7(12)11-8(5)13-4-6(9)10/h2-3,6H,4H2,1H3,(H,11,12).
What are the key properties of 6-(2,2-difluoroethoxy)-5-methyl-1H-pyridin-2-one?
6-(2,2-difluoroethoxy)-5-methyl-1H-pyridin-2-one has a molecular weight of 189.16 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)-5-methyl-1H-pyridin-2-one is sourced from PubChem (CID 162046819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).