2-(1,2,2-trifluoroethyl)pyridazin-3-one

C6H5F3N2O — CID 174406516

IUPAC2-(1,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1cccnn1C(F)C(F)F
InChIInChI=1S/C6H5F3N2O/c7-5(8)6(9)11-4(12)2-1-3-10-11/h1-3,5-6H
InChIKeyFGQZADGHCTWQDM-UHFFFAOYSA-N
MW178.11 g/mol
LogP0.98
Rot. Bonds2

About 2-(1,2,2-trifluoroethyl)pyridazin-3-one

2-(1,2,2-trifluoroethyl)pyridazin-3-one (PubChem CID 174406516) has the molecular formula C6H5F3N2O and a molecular weight of 178.11 g/mol. Its IUPAC name is 2-(1,2,2-trifluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(1,2,2-trifluoroethyl)pyridazin-3-one
PubChem CID174406516
Molecular FormulaC6H5F3N2O
Molecular Weight178.11 g/mol
Exact Mass178.04
IUPAC Name2-(1,2,2-trifluoroethyl)pyridazin-3-one
SMILESO=c1cccnn1C(F)C(F)F
InChIInChI=1S/C6H5F3N2O/c7-5(8)6(9)11-4(12)2-1-3-10-11/h1-3,5-6H
InChIKeyFGQZADGHCTWQDM-UHFFFAOYSA-N
XLogP0.98
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.11
LogP ≤ 50.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(1,2,2-trifluoroethyl)pyridazin-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

Frequently Asked Questions

What is the IUPAC name of 2-(1,2,2-trifluoroethyl)pyridazin-3-one?
The IUPAC name of 2-(1,2,2-trifluoroethyl)pyridazin-3-one (CID 174406516) is 2-(1,2,2-trifluoroethyl)pyridazin-3-one.
What is the SMILES notation for 2-(1,2,2-trifluoroethyl)pyridazin-3-one?
The canonical SMILES for 2-(1,2,2-trifluoroethyl)pyridazin-3-one is O=c1cccnn1C(F)C(F)F.
What is the InChIKey of 2-(1,2,2-trifluoroethyl)pyridazin-3-one?
The InChIKey is FGQZADGHCTWQDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F3N2O/c7-5(8)6(9)11-4(12)2-1-3-10-11/h1-3,5-6H.
What are the key properties of 2-(1,2,2-trifluoroethyl)pyridazin-3-one?
2-(1,2,2-trifluoroethyl)pyridazin-3-one has a molecular weight of 178.11 g/mol, XLogP of 0.98, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2,2-trifluoroethyl)pyridazin-3-one is sourced from PubChem (CID 174406516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).