1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone

C12H8F2N2O — CID 116832929

IUPAC1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone
SMILESO=C(Cc1cccnn1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H8F2N2O/c13-10-4-3-8(6-11(10)14)12(17)7-9-2-1-5-15-16-9/h1-6H,7H2
InChIKeyVMACSBOFDQCFLU-UHFFFAOYSA-N
MW234.21 g/mol
LogP2.18
Rot. Bonds3

About 1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone

1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone (PubChem CID 116832929) has the molecular formula C12H8F2N2O and a molecular weight of 234.21 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone
PubChem CID116832929
Molecular FormulaC12H8F2N2O
Molecular Weight234.21 g/mol
Exact Mass234.06
IUPAC Name1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone
SMILESO=C(Cc1cccnn1)c1ccc(F)c(F)c1
InChIInChI=1S/C12H8F2N2O/c13-10-4-3-8(6-11(10)14)12(17)7-9-2-1-5-15-16-9/h1-6H,7H2
InChIKeyVMACSBOFDQCFLU-UHFFFAOYSA-N
XLogP2.18
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.21
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone 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-(3-fluorophenyl)-2-pyridazin-3-ylethanone
CID 116832978
1-(2,4-difluorophenyl)-2-pyridazin-3-ylethanone
CID 18956540
1-(3,4-difluorophenyl)-2-pyridin-3-ylethanone
CID 62800700
2-pyridazin-3-yl-1-(1H-pyrrol-3-yl)ethanone
CID 116832942
1-(2-methyl-1,3-benzoxazol-6-yl)-2-pyridazin-3-ylethanone
CID 116832958
2-pyridazin-3-yl-1-thiophen-2-ylethanone
CID 116832889
1-(3,4-difluorophenyl)-2-(pyridin-2-ylmethylamino)ethanone
CID 94274466
1-(3,4-difluorophenyl)-2-(2-methyltetrazol-5-yl)ethanone
CID 107046842
1-(3,4-difluorophenyl)-2-(3-methylphenyl)ethanone
CID 60797589
2-(7-bromo-1,5-naphthyridin-2-yl)-1-(3,4-difluorophenyl)ethanone
CID 146662188
1-(3,4-difluorophenyl)-2-(1-ethylimidazol-2-yl)ethanone
CID 79744270
3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894540

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone?
The IUPAC name of 1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone (CID 116832929) is 1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone is O=C(Cc1cccnn1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone?
The InChIKey is VMACSBOFDQCFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F2N2O/c13-10-4-3-8(6-11(10)14)12(17)7-9-2-1-5-15-16-9/h1-6H,7H2.
What are the key properties of 1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone?
1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone has a molecular weight of 234.21 g/mol, XLogP of 2.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-pyridazin-3-ylethanone is sourced from PubChem (CID 116832929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).