5-ethoxy-4,6-difluoro-2-(oxan-2-yl)pyridazin-3-one

C11H14F2N2O3 — CID 102420907

IUPAC5-ethoxy-4,6-difluoro-2-(oxan-2-yl)pyridazin-3-one
SMILESCCOc1c(F)nn(C2CCCCO2)c(=O)c1F
InChIInChI=1S/C11H14F2N2O3/c1-2-17-9-8(12)11(16)15(14-10(9)13)7-5-3-4-6-18-7/h7H,2-6H2,1H3
InChIKeyGIUMTFIFQJOYDU-UHFFFAOYSA-N
MW260.24 g/mol
LogP1.62
Rot. Bonds3

About 5-ethoxy-4,6-difluoro-2-(oxan-2-yl)pyridazin-3-one

5-ethoxy-4,6-difluoro-2-(oxan-2-yl)pyridazin-3-one (PubChem CID 102420907) has the molecular formula C11H14F2N2O3 and a molecular weight of 260.24 g/mol. Its IUPAC name is 5-ethoxy-4,6-difluoro-2-(oxan-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-ethoxy-4,6-difluoro-2-(oxan-2-yl)pyridazin-3-one
PubChem CID102420907
Molecular FormulaC11H14F2N2O3
Molecular Weight260.24 g/mol
Exact Mass260.10
IUPAC Name5-ethoxy-4,6-difluoro-2-(oxan-2-yl)pyridazin-3-one
SMILESCCOc1c(F)nn(C2CCCCO2)c(=O)c1F
InChIInChI=1S/C11H14F2N2O3/c1-2-17-9-8(12)11(16)15(14-10(9)13)7-5-3-4-6-18-7/h7H,2-6H2,1H3
InChIKeyGIUMTFIFQJOYDU-UHFFFAOYSA-N
XLogP1.62
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.24
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-ethoxy-4,6-difluoro-2-(oxan-2-yl)pyridazin-3-one?
The IUPAC name of 5-ethoxy-4,6-difluoro-2-(oxan-2-yl)pyridazin-3-one (CID 102420907) is 5-ethoxy-4,6-difluoro-2-(oxan-2-yl)pyridazin-3-one.
What is the SMILES notation for 5-ethoxy-4,6-difluoro-2-(oxan-2-yl)pyridazin-3-one?
The canonical SMILES for 5-ethoxy-4,6-difluoro-2-(oxan-2-yl)pyridazin-3-one is CCOc1c(F)nn(C2CCCCO2)c(=O)c1F.
What is the InChIKey of 5-ethoxy-4,6-difluoro-2-(oxan-2-yl)pyridazin-3-one?
The InChIKey is GIUMTFIFQJOYDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O3/c1-2-17-9-8(12)11(16)15(14-10(9)13)7-5-3-4-6-18-7/h7H,2-6H2,1H3.
What are the key properties of 5-ethoxy-4,6-difluoro-2-(oxan-2-yl)pyridazin-3-one?
5-ethoxy-4,6-difluoro-2-(oxan-2-yl)pyridazin-3-one has a molecular weight of 260.24 g/mol, XLogP of 1.62, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethoxy-4,6-difluoro-2-(oxan-2-yl)pyridazin-3-one is sourced from PubChem (CID 102420907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).