6-(difluoromethoxy)-5-propan-2-yl-1H-pyridin-2-one

C9H11F2NO2 — CID 176611274

IUPAC6-(difluoromethoxy)-5-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(=O)[nH]c1OC(F)F
InChIInChI=1S/C9H11F2NO2/c1-5(2)6-3-4-7(13)12-8(6)14-9(10)11/h3-5,9H,1-2H3,(H,12,13)
InChIKeyAUTZOTJLFAJGMA-UHFFFAOYSA-N
MW203.19 g/mol
LogP2.10
Rot. Bonds3

About 6-(difluoromethoxy)-5-propan-2-yl-1H-pyridin-2-one

6-(difluoromethoxy)-5-propan-2-yl-1H-pyridin-2-one (PubChem CID 176611274) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 6-(difluoromethoxy)-5-propan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-(difluoromethoxy)-5-propan-2-yl-1H-pyridin-2-one
PubChem CID176611274
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name6-(difluoromethoxy)-5-propan-2-yl-1H-pyridin-2-one
SMILESCC(C)c1ccc(=O)[nH]c1OC(F)F
InChIInChI=1S/C9H11F2NO2/c1-5(2)6-3-4-7(13)12-8(6)14-9(10)11/h3-5,9H,1-2H3,(H,12,13)
InChIKeyAUTZOTJLFAJGMA-UHFFFAOYSA-N
XLogP2.10
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethoxy-6-(trifluoromethyl)-2H-isoquinolin-3-one
CID 138975128
6-fluoro-5-propan-2-yl-1H-pyridin-2-one
CID 122543512
5-but-3-enyl-6-methoxy-1H-pyridin-2-one
CID 164674208
4-(Difluoromethyl)-6-methoxy-5-methylpyridin-2-ol
CID 118801364
4-(Difluoromethyl)-6-methoxy-5-(trifluoromethyl)pyridin-2-ol
CID 118811657
4-(Difluoromethyl)-5-methyl-6-(trifluoromethoxy)pyridin-2-ol
CID 118841027
5-(difluoromethyl)-4-fluoro-6-methoxy-1H-pyridin-2-one
CID 130079267
5-(difluoromethyl)-3-fluoro-6-methoxy-1H-pyridin-2-one
CID 130079273
3-(difluoromethyl)-6-methoxy-5-methyl-1H-pyridin-2-one
CID 130083134
5-(difluoromethyl)-6-methoxy-3-methyl-1H-pyridin-2-one
CID 130083154
5-(difluoromethyl)-6-methoxy-4-methyl-1H-pyridin-2-one
CID 130083155
5-(difluoromethyl)-6-methoxy-3-(trifluoromethyl)-1H-pyridin-2-one
CID 130083367

Frequently Asked Questions

What is the IUPAC name of 6-(difluoromethoxy)-5-propan-2-yl-1H-pyridin-2-one?
The IUPAC name of 6-(difluoromethoxy)-5-propan-2-yl-1H-pyridin-2-one (CID 176611274) is 6-(difluoromethoxy)-5-propan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-(difluoromethoxy)-5-propan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 6-(difluoromethoxy)-5-propan-2-yl-1H-pyridin-2-one is CC(C)c1ccc(=O)[nH]c1OC(F)F.
What is the InChIKey of 6-(difluoromethoxy)-5-propan-2-yl-1H-pyridin-2-one?
The InChIKey is AUTZOTJLFAJGMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-5(2)6-3-4-7(13)12-8(6)14-9(10)11/h3-5,9H,1-2H3,(H,12,13).
What are the key properties of 6-(difluoromethoxy)-5-propan-2-yl-1H-pyridin-2-one?
6-(difluoromethoxy)-5-propan-2-yl-1H-pyridin-2-one has a molecular weight of 203.19 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(difluoromethoxy)-5-propan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 176611274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).