3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one

C16H11F3N2O — CID 137465198

IUPAC3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(-c3ccc(F)c(F)c3)c(F)c2)=NN1
InChIInChI=1S/C16H11F3N2O/c17-12-4-2-9(7-14(12)19)11-3-1-10(8-13(11)18)15-5-6-16(22)21-20-15/h1-4,7-8H,5-6H2,(H,21,22)
InChIKeyHCYLGQXJHVCLBA-UHFFFAOYSA-N
MW304.27 g/mol
LogP3.38
Rot. Bonds2

About 3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one

3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one (PubChem CID 137465198) has the molecular formula C16H11F3N2O and a molecular weight of 304.27 g/mol. Its IUPAC name is 3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
PubChem CID137465198
Molecular FormulaC16H11F3N2O
Molecular Weight304.27 g/mol
Exact Mass304.08
IUPAC Name3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one
SMILESO=C1CCC(c2ccc(-c3ccc(F)c(F)c3)c(F)c2)=NN1
InChIInChI=1S/C16H11F3N2O/c17-12-4-2-9(7-14(12)19)11-3-1-10(8-13(11)18)15-5-6-16(22)21-20-15/h1-4,7-8H,5-6H2,(H,21,22)
InChIKeyHCYLGQXJHVCLBA-UHFFFAOYSA-N
XLogP3.38
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-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 3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one?
The IUPAC name of 3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one (CID 137465198) is 3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one.
What is the SMILES notation for 3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one?
The canonical SMILES for 3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one is O=C1CCC(c2ccc(-c3ccc(F)c(F)c3)c(F)c2)=NN1.
What is the InChIKey of 3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one?
The InChIKey is HCYLGQXJHVCLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2O/c17-12-4-2-9(7-14(12)19)11-3-1-10(8-13(11)18)15-5-6-16(22)21-20-15/h1-4,7-8H,5-6H2,(H,21,22).
What are the key properties of 3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one?
3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one has a molecular weight of 304.27 g/mol, XLogP of 3.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3,4-difluorophenyl)-3-fluorophenyl]-4,5-dihydro-1H-pyridazin-6-one is sourced from PubChem (CID 137465198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).