3-(2,2,2-trifluoroethyl)-1H-pyridin-4-one

C7H6F3NO — CID 151020526

IUPAC3-(2,2,2-trifluoroethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1CC(F)(F)F
InChIInChI=1S/C7H6F3NO/c8-7(9,10)3-5-4-11-2-1-6(5)12/h1-2,4H,3H2,(H,11,12)
InChIKeyLXYZBWBUTXHQML-UHFFFAOYSA-N
MW177.12 g/mol
LogP1.48
Rot. Bonds1

About 3-(2,2,2-trifluoroethyl)-1H-pyridin-4-one

3-(2,2,2-trifluoroethyl)-1H-pyridin-4-one (PubChem CID 151020526) has the molecular formula C7H6F3NO and a molecular weight of 177.12 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethyl)-1H-pyridin-4-one.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethyl)-1H-pyridin-4-one
PubChem CID151020526
Molecular FormulaC7H6F3NO
Molecular Weight177.12 g/mol
Exact Mass177.04
IUPAC Name3-(2,2,2-trifluoroethyl)-1H-pyridin-4-one
SMILESO=c1cc[nH]cc1CC(F)(F)F
InChIInChI=1S/C7H6F3NO/c8-7(9,10)3-5-4-11-2-1-6(5)12/h1-2,4H,3H2,(H,11,12)
InChIKeyLXYZBWBUTXHQML-UHFFFAOYSA-N
XLogP1.48
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.12
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(2,2,2-trifluoroethyl)-1H-pyridin-4-one with MolForge

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

Launch Full Analysis

Related Compounds

3-Methylpyridin-4-ol
CID 2762918
3-Ethylpyridin-4-OL
CID 15534895
1-(1,4-Dihydropyridin-3-yl)ethanone
CID 139699882
3-methyl-5-(trifluoromethyl)-1H-pyridin-4-one
CID 20767660
3-(Trifluoromethyl)pyridin-4-OL
CID 22766085
3,5-Bis(trifluoromethyl)-4-pyridinol
CID 25069465
2-Fluoro-3-methylpyridin-4-OL
CID 72212933
1-Methyl-3-(2,2,2-trifluoroethyl)pyridin-4-one
CID 141316240
3-ethyl-5-fluoro-1H-pyridin-4-one
CID 146507314
1-(4-Deuterio-1,4-dihydropyridin-3-yl)ethanone
CID 162411001
(E)-4,4,5,5,6,6,6-heptafluoro-1-(methylamino)hex-1-en-3-one
CID 15892727
3-(2,2,2-trifluoroacetyl)-1H-pyridin-4-one
CID 20606745

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethyl)-1H-pyridin-4-one?
The IUPAC name of 3-(2,2,2-trifluoroethyl)-1H-pyridin-4-one (CID 151020526) is 3-(2,2,2-trifluoroethyl)-1H-pyridin-4-one.
What is the SMILES notation for 3-(2,2,2-trifluoroethyl)-1H-pyridin-4-one?
The canonical SMILES for 3-(2,2,2-trifluoroethyl)-1H-pyridin-4-one is O=c1cc[nH]cc1CC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethyl)-1H-pyridin-4-one?
The InChIKey is LXYZBWBUTXHQML-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO/c8-7(9,10)3-5-4-11-2-1-6(5)12/h1-2,4H,3H2,(H,11,12).
What are the key properties of 3-(2,2,2-trifluoroethyl)-1H-pyridin-4-one?
3-(2,2,2-trifluoroethyl)-1H-pyridin-4-one has a molecular weight of 177.12 g/mol, XLogP of 1.48, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethyl)-1H-pyridin-4-one is sourced from PubChem (CID 151020526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).