6-(4,4,4-trifluoro-3-oxobutyl)-4,5-dihydro-2H-pyridin-3-one

C9H10F3NO2 — CID 153301248

IUPAC6-(4,4,4-trifluoro-3-oxobutyl)-4,5-dihydro-2H-pyridin-3-one
SMILESO=C1CCC(CCC(=O)C(F)(F)F)=NC1
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)8(15)4-2-6-1-3-7(14)5-13-6/h1-5H2
InChIKeyLBEJFIVWDXAQRC-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.70
Rot. Bonds3

About 6-(4,4,4-trifluoro-3-oxobutyl)-4,5-dihydro-2H-pyridin-3-one

6-(4,4,4-trifluoro-3-oxobutyl)-4,5-dihydro-2H-pyridin-3-one (PubChem CID 153301248) has the molecular formula C9H10F3NO2 and a molecular weight of 221.18 g/mol. Its IUPAC name is 6-(4,4,4-trifluoro-3-oxobutyl)-4,5-dihydro-2H-pyridin-3-one.

Molecular Properties

Compound Name6-(4,4,4-trifluoro-3-oxobutyl)-4,5-dihydro-2H-pyridin-3-one
PubChem CID153301248
Molecular FormulaC9H10F3NO2
Molecular Weight221.18 g/mol
Exact Mass221.07
IUPAC Name6-(4,4,4-trifluoro-3-oxobutyl)-4,5-dihydro-2H-pyridin-3-one
SMILESO=C1CCC(CCC(=O)C(F)(F)F)=NC1
InChIInChI=1S/C9H10F3NO2/c10-9(11,12)8(15)4-2-6-1-3-7(14)5-13-6/h1-5H2
InChIKeyLBEJFIVWDXAQRC-UHFFFAOYSA-N
XLogP1.70
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-(4,4,4-trifluoro-3-oxobutyl)-4,5-dihydro-2H-pyridin-3-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

1-(2,3,4,5-Tetrahydropyridin-6-yl)propan-2-one
CID 54276211
CID 53630632
CID 53630632

Frequently Asked Questions

What is the IUPAC name of 6-(4,4,4-trifluoro-3-oxobutyl)-4,5-dihydro-2H-pyridin-3-one?
The IUPAC name of 6-(4,4,4-trifluoro-3-oxobutyl)-4,5-dihydro-2H-pyridin-3-one (CID 153301248) is 6-(4,4,4-trifluoro-3-oxobutyl)-4,5-dihydro-2H-pyridin-3-one.
What is the SMILES notation for 6-(4,4,4-trifluoro-3-oxobutyl)-4,5-dihydro-2H-pyridin-3-one?
The canonical SMILES for 6-(4,4,4-trifluoro-3-oxobutyl)-4,5-dihydro-2H-pyridin-3-one is O=C1CCC(CCC(=O)C(F)(F)F)=NC1.
What is the InChIKey of 6-(4,4,4-trifluoro-3-oxobutyl)-4,5-dihydro-2H-pyridin-3-one?
The InChIKey is LBEJFIVWDXAQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO2/c10-9(11,12)8(15)4-2-6-1-3-7(14)5-13-6/h1-5H2.
What are the key properties of 6-(4,4,4-trifluoro-3-oxobutyl)-4,5-dihydro-2H-pyridin-3-one?
6-(4,4,4-trifluoro-3-oxobutyl)-4,5-dihydro-2H-pyridin-3-one has a molecular weight of 221.18 g/mol, XLogP of 1.70, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4,4,4-trifluoro-3-oxobutyl)-4,5-dihydro-2H-pyridin-3-one is sourced from PubChem (CID 153301248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).