3-(difluoromethoxy)-1-propan-2-ylpyridin-2-one

C9H11F2NO2 — CID 171101017

IUPAC3-(difluoromethoxy)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cccc(OC(F)F)c1=O
InChIInChI=1S/C9H11F2NO2/c1-6(2)12-5-3-4-7(8(12)13)14-9(10)11/h3-6,9H,1-2H3
InChIKeyVJVPOXWAZABUIF-UHFFFAOYSA-N
MW203.19 g/mol
LogP2.03
Rot. Bonds3

About 3-(difluoromethoxy)-1-propan-2-ylpyridin-2-one

3-(difluoromethoxy)-1-propan-2-ylpyridin-2-one (PubChem CID 171101017) has the molecular formula C9H11F2NO2 and a molecular weight of 203.19 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-propan-2-ylpyridin-2-one
PubChem CID171101017
Molecular FormulaC9H11F2NO2
Molecular Weight203.19 g/mol
Exact Mass203.08
IUPAC Name3-(difluoromethoxy)-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cccc(OC(F)F)c1=O
InChIInChI=1S/C9H11F2NO2/c1-6(2)12-5-3-4-7(8(12)13)14-9(10)11/h3-6,9H,1-2H3
InChIKeyVJVPOXWAZABUIF-UHFFFAOYSA-N
XLogP2.03
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.19
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Fluoro-3-methoxy-1-propan-2-ylpyridin-2-one
CID 57640442
5-Fluoro-3-methoxy-1-methylpyridin-2-one
CID 68092063
3-(Difluoromethoxy)-1-methylpyridin-2-one
CID 135334628
(1-Methyl-2-oxo-3-pyridinyl) 2,2,2-trifluoroacetate
CID 162492721
1-Methyl-3-(trifluoromethoxy)pyridin-2-one
CID 171100720
3-(Difluoromethoxy)-1-ethylpyridin-2-one
CID 171101226
1-Propan-2-yl-3-(trifluoromethoxy)pyridin-2-one
CID 171746145
Ethane;1-methyl-3-(trifluoromethoxy)pyridin-2-one
CID 171801023
3-(Difluoromethoxy)-1-octan-3-ylpyridin-2-one
CID 175619823
5-Bromo-1-(2-fluoroethyl)-3-methoxypyridin-2-one
CID 178750781
3-Methoxy-1-methylpyridin-2-one
CID 587024
N-ethyl-2-(3-methoxy-2-oxopyridin-1(2H)-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 72917130

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-propan-2-ylpyridin-2-one?
The IUPAC name of 3-(difluoromethoxy)-1-propan-2-ylpyridin-2-one (CID 171101017) is 3-(difluoromethoxy)-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 3-(difluoromethoxy)-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 3-(difluoromethoxy)-1-propan-2-ylpyridin-2-one is CC(C)n1cccc(OC(F)F)c1=O.
What is the InChIKey of 3-(difluoromethoxy)-1-propan-2-ylpyridin-2-one?
The InChIKey is VJVPOXWAZABUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO2/c1-6(2)12-5-3-4-7(8(12)13)14-9(10)11/h3-6,9H,1-2H3.
What are the key properties of 3-(difluoromethoxy)-1-propan-2-ylpyridin-2-one?
3-(difluoromethoxy)-1-propan-2-ylpyridin-2-one has a molecular weight of 203.19 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 171101017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).