3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one

C7H4F3NO2 — CID 85271929

IUPAC3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)C(F)(F)F
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)5(12)4-2-1-3-11-6(4)13/h1-3H,(H,11,13)
InChIKeyHYESSKQCQMMNAM-UHFFFAOYSA-N
MW191.11 g/mol
LogP1.12
Rot. Bonds1

About 3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one

3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one (PubChem CID 85271929) has the molecular formula C7H4F3NO2 and a molecular weight of 191.11 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one
PubChem CID85271929
Molecular FormulaC7H4F3NO2
Molecular Weight191.11 g/mol
Exact Mass191.02
IUPAC Name3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one
SMILESO=C(c1ccc[nH]c1=O)C(F)(F)F
InChIInChI=1S/C7H4F3NO2/c8-7(9,10)5(12)4-2-1-3-11-6(4)13/h1-3H,(H,11,13)
InChIKeyHYESSKQCQMMNAM-UHFFFAOYSA-N
XLogP1.12
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.11
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one?
The IUPAC name of 3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one (CID 85271929) is 3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one.
What is the SMILES notation for 3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one?
The canonical SMILES for 3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one is O=C(c1ccc[nH]c1=O)C(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one?
The InChIKey is HYESSKQCQMMNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2/c8-7(9,10)5(12)4-2-1-3-11-6(4)13/h1-3H,(H,11,13).
What are the key properties of 3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one?
3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one has a molecular weight of 191.11 g/mol, XLogP of 1.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroacetyl)-1H-pyridin-2-one is sourced from PubChem (CID 85271929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).