1-(2,4-difluorophenyl)-2-pyridazin-3-ylpropan-1-one

C13H10F2N2O — CID 18956523

IUPAC1-(2,4-difluorophenyl)-2-pyridazin-3-ylpropan-1-one
SMILESCC(C(=O)c1ccc(F)cc1F)c1cccnn1
InChIInChI=1S/C13H10F2N2O/c1-8(12-3-2-6-16-17-12)13(18)10-5-4-9(14)7-11(10)15/h2-8H,1H3
InChIKeyGHTZURZZTBWIJZ-UHFFFAOYSA-N
MW248.23 g/mol
LogP2.74
Rot. Bonds3

About 1-(2,4-difluorophenyl)-2-pyridazin-3-ylpropan-1-one

1-(2,4-difluorophenyl)-2-pyridazin-3-ylpropan-1-one (PubChem CID 18956523) has the molecular formula C13H10F2N2O and a molecular weight of 248.23 g/mol. Its IUPAC name is 1-(2,4-difluorophenyl)-2-pyridazin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(2,4-difluorophenyl)-2-pyridazin-3-ylpropan-1-one
PubChem CID18956523
Molecular FormulaC13H10F2N2O
Molecular Weight248.23 g/mol
Exact Mass248.08
IUPAC Name1-(2,4-difluorophenyl)-2-pyridazin-3-ylpropan-1-one
SMILESCC(C(=O)c1ccc(F)cc1F)c1cccnn1
InChIInChI=1S/C13H10F2N2O/c1-8(12-3-2-6-16-17-12)13(18)10-5-4-9(14)7-11(10)15/h2-8H,1H3
InChIKeyGHTZURZZTBWIJZ-UHFFFAOYSA-N
XLogP2.74
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.23
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,4-difluorophenyl)-2-pyridazin-3-ylpropan-1-one?
The IUPAC name of 1-(2,4-difluorophenyl)-2-pyridazin-3-ylpropan-1-one (CID 18956523) is 1-(2,4-difluorophenyl)-2-pyridazin-3-ylpropan-1-one.
What is the SMILES notation for 1-(2,4-difluorophenyl)-2-pyridazin-3-ylpropan-1-one?
The canonical SMILES for 1-(2,4-difluorophenyl)-2-pyridazin-3-ylpropan-1-one is CC(C(=O)c1ccc(F)cc1F)c1cccnn1.
What is the InChIKey of 1-(2,4-difluorophenyl)-2-pyridazin-3-ylpropan-1-one?
The InChIKey is GHTZURZZTBWIJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O/c1-8(12-3-2-6-16-17-12)13(18)10-5-4-9(14)7-11(10)15/h2-8H,1H3.
What are the key properties of 1-(2,4-difluorophenyl)-2-pyridazin-3-ylpropan-1-one?
1-(2,4-difluorophenyl)-2-pyridazin-3-ylpropan-1-one has a molecular weight of 248.23 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,4-difluorophenyl)-2-pyridazin-3-ylpropan-1-one is sourced from PubChem (CID 18956523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).