1-[6-(difluoromethoxy)pyridazin-3-yl]ethanone

C7H6F2N2O2 — CID 178156413

IUPAC1-[6-(difluoromethoxy)pyridazin-3-yl]ethanone
SMILESCC(=O)c1ccc(OC(F)F)nn1
InChIInChI=1S/C7H6F2N2O2/c1-4(12)5-2-3-6(11-10-5)13-7(8)9/h2-3,7H,1H3
InChIKeyQTRQLTOJKKYSES-UHFFFAOYSA-N
MW188.13 g/mol
LogP1.28
Rot. Bonds3

About 1-[6-(difluoromethoxy)pyridazin-3-yl]ethanone

1-[6-(difluoromethoxy)pyridazin-3-yl]ethanone (PubChem CID 178156413) has the molecular formula C7H6F2N2O2 and a molecular weight of 188.13 g/mol. Its IUPAC name is 1-[6-(difluoromethoxy)pyridazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-(difluoromethoxy)pyridazin-3-yl]ethanone
PubChem CID178156413
Molecular FormulaC7H6F2N2O2
Molecular Weight188.13 g/mol
Exact Mass188.04
IUPAC Name1-[6-(difluoromethoxy)pyridazin-3-yl]ethanone
SMILESCC(=O)c1ccc(OC(F)F)nn1
InChIInChI=1S/C7H6F2N2O2/c1-4(12)5-2-3-6(11-10-5)13-7(8)9/h2-3,7H,1H3
InChIKeyQTRQLTOJKKYSES-UHFFFAOYSA-N
XLogP1.28
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.13
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[6-(difluoromethoxy)pyridazin-3-yl]ethanone 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 1-[6-(difluoromethoxy)pyridazin-3-yl]ethanone?
The IUPAC name of 1-[6-(difluoromethoxy)pyridazin-3-yl]ethanone (CID 178156413) is 1-[6-(difluoromethoxy)pyridazin-3-yl]ethanone.
What is the SMILES notation for 1-[6-(difluoromethoxy)pyridazin-3-yl]ethanone?
The canonical SMILES for 1-[6-(difluoromethoxy)pyridazin-3-yl]ethanone is CC(=O)c1ccc(OC(F)F)nn1.
What is the InChIKey of 1-[6-(difluoromethoxy)pyridazin-3-yl]ethanone?
The InChIKey is QTRQLTOJKKYSES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F2N2O2/c1-4(12)5-2-3-6(11-10-5)13-7(8)9/h2-3,7H,1H3.
What are the key properties of 1-[6-(difluoromethoxy)pyridazin-3-yl]ethanone?
1-[6-(difluoromethoxy)pyridazin-3-yl]ethanone has a molecular weight of 188.13 g/mol, XLogP of 1.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(difluoromethoxy)pyridazin-3-yl]ethanone is sourced from PubChem (CID 178156413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).