3-(difluoromethyl)-1H-pyridazin-6-one

C5H4F2N2O — CID 99982758

IUPAC3-(difluoromethyl)-1H-pyridazin-6-one
SMILESO=c1ccc(C(F)F)n[nH]1
InChIInChI=1S/C5H4F2N2O/c6-5(7)3-1-2-4(10)9-8-3/h1-2,5H,(H,9,10)
InChIKeyVDSWJGFUQPMWAV-UHFFFAOYSA-N
MW146.10 g/mol
LogP0.71
Rot. Bonds1

About 3-(difluoromethyl)-1H-pyridazin-6-one

3-(difluoromethyl)-1H-pyridazin-6-one (PubChem CID 99982758) has the molecular formula C5H4F2N2O and a molecular weight of 146.10 g/mol. Its IUPAC name is 3-(difluoromethyl)-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(difluoromethyl)-1H-pyridazin-6-one
PubChem CID99982758
Molecular FormulaC5H4F2N2O
Molecular Weight146.10 g/mol
Exact Mass146.03
IUPAC Name3-(difluoromethyl)-1H-pyridazin-6-one
SMILESO=c1ccc(C(F)F)n[nH]1
InChIInChI=1S/C5H4F2N2O/c6-5(7)3-1-2-4(10)9-8-3/h1-2,5H,(H,9,10)
InChIKeyVDSWJGFUQPMWAV-UHFFFAOYSA-N
XLogP0.71
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.10
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethyl)-1H-pyridazin-6-one?
The IUPAC name of 3-(difluoromethyl)-1H-pyridazin-6-one (CID 99982758) is 3-(difluoromethyl)-1H-pyridazin-6-one.
What is the SMILES notation for 3-(difluoromethyl)-1H-pyridazin-6-one?
The canonical SMILES for 3-(difluoromethyl)-1H-pyridazin-6-one is O=c1ccc(C(F)F)n[nH]1.
What is the InChIKey of 3-(difluoromethyl)-1H-pyridazin-6-one?
The InChIKey is VDSWJGFUQPMWAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4F2N2O/c6-5(7)3-1-2-4(10)9-8-3/h1-2,5H,(H,9,10).
What are the key properties of 3-(difluoromethyl)-1H-pyridazin-6-one?
3-(difluoromethyl)-1H-pyridazin-6-one has a molecular weight of 146.10 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethyl)-1H-pyridazin-6-one is sourced from PubChem (CID 99982758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).