6-(2,2-difluoroethoxy)-2-methylpyridazin-3-one

C7H8F2N2O2 — CID 126954661

IUPAC6-(2,2-difluoroethoxy)-2-methylpyridazin-3-one
SMILESCn1nc(OCC(F)F)ccc1=O
InChIInChI=1S/C7H8F2N2O2/c1-11-7(12)3-2-6(10-11)13-4-5(8)9/h2-3,5H,4H2,1H3
InChIKeyVGDDZCBNPBGOHR-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.42
Rot. Bonds3

About 6-(2,2-difluoroethoxy)-2-methylpyridazin-3-one

6-(2,2-difluoroethoxy)-2-methylpyridazin-3-one (PubChem CID 126954661) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 6-(2,2-difluoroethoxy)-2-methylpyridazin-3-one.

Molecular Properties

Compound Name6-(2,2-difluoroethoxy)-2-methylpyridazin-3-one
PubChem CID126954661
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name6-(2,2-difluoroethoxy)-2-methylpyridazin-3-one
SMILESCn1nc(OCC(F)F)ccc1=O
InChIInChI=1S/C7H8F2N2O2/c1-11-7(12)3-2-6(10-11)13-4-5(8)9/h2-3,5H,4H2,1H3
InChIKeyVGDDZCBNPBGOHR-UHFFFAOYSA-N
XLogP0.42
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 50.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,2-difluoroethoxy)-2-methylpyridazin-3-one?
The IUPAC name of 6-(2,2-difluoroethoxy)-2-methylpyridazin-3-one (CID 126954661) is 6-(2,2-difluoroethoxy)-2-methylpyridazin-3-one.
What is the SMILES notation for 6-(2,2-difluoroethoxy)-2-methylpyridazin-3-one?
The canonical SMILES for 6-(2,2-difluoroethoxy)-2-methylpyridazin-3-one is Cn1nc(OCC(F)F)ccc1=O.
What is the InChIKey of 6-(2,2-difluoroethoxy)-2-methylpyridazin-3-one?
The InChIKey is VGDDZCBNPBGOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-11-7(12)3-2-6(10-11)13-4-5(8)9/h2-3,5H,4H2,1H3.
What are the key properties of 6-(2,2-difluoroethoxy)-2-methylpyridazin-3-one?
6-(2,2-difluoroethoxy)-2-methylpyridazin-3-one has a molecular weight of 190.15 g/mol, XLogP of 0.42, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,2-difluoroethoxy)-2-methylpyridazin-3-one is sourced from PubChem (CID 126954661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).