2-(2,2-difluoroethyl)-6-methoxypyridazin-3-one

C7H8F2N2O2 — CID 130627801

IUPAC2-(2,2-difluoroethyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(F)F)n1
InChIInChI=1S/C7H8F2N2O2/c1-13-6-2-3-7(12)11(10-6)4-5(8)9/h2-3,5H,4H2,1H3
InChIKeyWZWGAXKYAWASGW-UHFFFAOYSA-N
MW190.15 g/mol
LogP0.52
Rot. Bonds3

About 2-(2,2-difluoroethyl)-6-methoxypyridazin-3-one

2-(2,2-difluoroethyl)-6-methoxypyridazin-3-one (PubChem CID 130627801) has the molecular formula C7H8F2N2O2 and a molecular weight of 190.15 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-6-methoxypyridazin-3-one.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-6-methoxypyridazin-3-one
PubChem CID130627801
Molecular FormulaC7H8F2N2O2
Molecular Weight190.15 g/mol
Exact Mass190.06
IUPAC Name2-(2,2-difluoroethyl)-6-methoxypyridazin-3-one
SMILESCOc1ccc(=O)n(CC(F)F)n1
InChIInChI=1S/C7H8F2N2O2/c1-13-6-2-3-7(12)11(10-6)4-5(8)9/h2-3,5H,4H2,1H3
InChIKeyWZWGAXKYAWASGW-UHFFFAOYSA-N
XLogP0.52
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 ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methyl-3-methoxy-6-pyridazone
CID 96429
2-(2,2,2-Trifluoroethyl)-6-trimethylstannylpyridazin-3-one
CID 172272402
2-Allyl-6-allyloxy-3-pyridazone
CID 12843594
3,3,3-Trifluoro-2-[(3-methoxy-6-oxopyridazin-1-yl)methyl]propanenitrile
CID 103368214
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-6-methoxypyridazin-3-one
CID 105061442
Trifluoro-[(3-methoxy-6-oxopyridazin-1-yl)methyl]boranuide
CID 105062250
Trifluoro-[3-(3-methoxy-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746484
6-Methoxy-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 113675831
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-6-methoxypyridazin-3-one
CID 113807420
6-(2,2-Difluoroethoxy)-2-methyl-2,3-dihydropyridazin-3-one
CID 126954661
2-(2-Cyanoethyl)-2,3-dihydro-6-methoxy-3-oxopyridazine
CID 587495
6-Methoxy-2-propylpyridazin-3-one
CID 131085900

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-6-methoxypyridazin-3-one?
The IUPAC name of 2-(2,2-difluoroethyl)-6-methoxypyridazin-3-one (CID 130627801) is 2-(2,2-difluoroethyl)-6-methoxypyridazin-3-one.
What is the SMILES notation for 2-(2,2-difluoroethyl)-6-methoxypyridazin-3-one?
The canonical SMILES for 2-(2,2-difluoroethyl)-6-methoxypyridazin-3-one is COc1ccc(=O)n(CC(F)F)n1.
What is the InChIKey of 2-(2,2-difluoroethyl)-6-methoxypyridazin-3-one?
The InChIKey is WZWGAXKYAWASGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O2/c1-13-6-2-3-7(12)11(10-6)4-5(8)9/h2-3,5H,4H2,1H3.
What are the key properties of 2-(2,2-difluoroethyl)-6-methoxypyridazin-3-one?
2-(2,2-difluoroethyl)-6-methoxypyridazin-3-one has a molecular weight of 190.15 g/mol, XLogP of 0.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-6-methoxypyridazin-3-one is sourced from PubChem (CID 130627801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).