3-(difluoromethoxy)-1-ethylpyridin-2-one

C8H9F2NO2 — CID 171101226

IUPAC3-(difluoromethoxy)-1-ethylpyridin-2-one
SMILESCCn1cccc(OC(F)F)c1=O
InChIInChI=1S/C8H9F2NO2/c1-2-11-5-3-4-6(7(11)12)13-8(9)10/h3-5,8H,2H2,1H3
InChIKeySLMKLRGAFFVPQH-UHFFFAOYSA-N
MW189.16 g/mol
LogP1.47
Rot. Bonds3

About 3-(difluoromethoxy)-1-ethylpyridin-2-one

3-(difluoromethoxy)-1-ethylpyridin-2-one (PubChem CID 171101226) has the molecular formula C8H9F2NO2 and a molecular weight of 189.16 g/mol. Its IUPAC name is 3-(difluoromethoxy)-1-ethylpyridin-2-one.

Molecular Properties

Compound Name3-(difluoromethoxy)-1-ethylpyridin-2-one
PubChem CID171101226
Molecular FormulaC8H9F2NO2
Molecular Weight189.16 g/mol
Exact Mass189.06
IUPAC Name3-(difluoromethoxy)-1-ethylpyridin-2-one
SMILESCCn1cccc(OC(F)F)c1=O
InChIInChI=1S/C8H9F2NO2/c1-2-11-5-3-4-6(7(11)12)13-8(9)10/h3-5,8H,2H2,1H3
InChIKeySLMKLRGAFFVPQH-UHFFFAOYSA-N
XLogP1.47
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.16
LogP ≤ 51.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[[Fluoro(dimethyl)silyl]methyl]-3-methoxypyridin-2-one
CID 10751179
5-Fluoro-3-methoxy-1-propan-2-ylpyridin-2-one
CID 57640442
5-Fluoro-3-methoxy-1-methylpyridin-2-one
CID 68092063
1-[2-(2,2,2-Trifluoroethoxy)ethyl]pyridin-2-one
CID 75501841
3-(Difluoromethoxy)-1-methylpyridin-2-one
CID 135334628
5-Bromo-1-(difluoromethyl)-3-ethoxypyridin-2-one
CID 156539713
(1-Methyl-2-oxo-3-pyridinyl) 2,2,2-trifluoroacetate
CID 162492721
1-Methyl-3-(trifluoromethoxy)pyridin-2-one
CID 171100720
3-(Difluoromethoxy)-1-propan-2-ylpyridin-2-one
CID 171101017
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

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-1-ethylpyridin-2-one?
The IUPAC name of 3-(difluoromethoxy)-1-ethylpyridin-2-one (CID 171101226) is 3-(difluoromethoxy)-1-ethylpyridin-2-one.
What is the SMILES notation for 3-(difluoromethoxy)-1-ethylpyridin-2-one?
The canonical SMILES for 3-(difluoromethoxy)-1-ethylpyridin-2-one is CCn1cccc(OC(F)F)c1=O.
What is the InChIKey of 3-(difluoromethoxy)-1-ethylpyridin-2-one?
The InChIKey is SLMKLRGAFFVPQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO2/c1-2-11-5-3-4-6(7(11)12)13-8(9)10/h3-5,8H,2H2,1H3.
What are the key properties of 3-(difluoromethoxy)-1-ethylpyridin-2-one?
3-(difluoromethoxy)-1-ethylpyridin-2-one has a molecular weight of 189.16 g/mol, XLogP of 1.47, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-1-ethylpyridin-2-one is sourced from PubChem (CID 171101226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).