1-(2,2-difluoroethyl)-3-ethylpyridin-2-one

C9H11F2NO — CID 178099459

IUPAC1-(2,2-difluoroethyl)-3-ethylpyridin-2-one
SMILESCCc1cccn(CC(F)F)c1=O
InChIInChI=1S/C9H11F2NO/c1-2-7-4-3-5-12(9(7)13)6-8(10)11/h3-5,8H,2,6H2,1H3
InChIKeyRQBBCHUZHROKTG-UHFFFAOYSA-N
MW187.19 g/mol
LogP1.68
Rot. Bonds3

About 1-(2,2-difluoroethyl)-3-ethylpyridin-2-one

1-(2,2-difluoroethyl)-3-ethylpyridin-2-one (PubChem CID 178099459) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 1-(2,2-difluoroethyl)-3-ethylpyridin-2-one.

Molecular Properties

Compound Name1-(2,2-difluoroethyl)-3-ethylpyridin-2-one
PubChem CID178099459
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name1-(2,2-difluoroethyl)-3-ethylpyridin-2-one
SMILESCCc1cccn(CC(F)F)c1=O
InChIInChI=1S/C9H11F2NO/c1-2-7-4-3-5-12(9(7)13)6-8(10)11/h3-5,8H,2,6H2,1H3
InChIKeyRQBBCHUZHROKTG-UHFFFAOYSA-N
XLogP1.68
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoroethyl)-3-ethylpyridin-2-one?
The IUPAC name of 1-(2,2-difluoroethyl)-3-ethylpyridin-2-one (CID 178099459) is 1-(2,2-difluoroethyl)-3-ethylpyridin-2-one.
What is the SMILES notation for 1-(2,2-difluoroethyl)-3-ethylpyridin-2-one?
The canonical SMILES for 1-(2,2-difluoroethyl)-3-ethylpyridin-2-one is CCc1cccn(CC(F)F)c1=O.
What is the InChIKey of 1-(2,2-difluoroethyl)-3-ethylpyridin-2-one?
The InChIKey is RQBBCHUZHROKTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-2-7-4-3-5-12(9(7)13)6-8(10)11/h3-5,8H,2,6H2,1H3.
What are the key properties of 1-(2,2-difluoroethyl)-3-ethylpyridin-2-one?
1-(2,2-difluoroethyl)-3-ethylpyridin-2-one has a molecular weight of 187.19 g/mol, XLogP of 1.68, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoroethyl)-3-ethylpyridin-2-one is sourced from PubChem (CID 178099459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).