2-(2,2-difluoroethyl)-5-methylpyridazin-3-one;ethane

C9H14F2N2O — CID 169135440

IUPAC2-(2,2-difluoroethyl)-5-methylpyridazin-3-one;ethane
SMILESCC.Cc1cnn(CC(F)F)c(=O)c1
InChIInChI=1S/C7H8F2N2O.C2H6/c1-5-2-7(12)11(10-3-5)4-6(8)9;1-2/h2-3,6H,4H2,1H3;1-2H3
InChIKeyXCQLUKLFOILBDV-UHFFFAOYSA-N
MW204.22 g/mol
LogP1.84
Rot. Bonds2

About 2-(2,2-difluoroethyl)-5-methylpyridazin-3-one;ethane

2-(2,2-difluoroethyl)-5-methylpyridazin-3-one;ethane (PubChem CID 169135440) has the molecular formula C9H14F2N2O and a molecular weight of 204.22 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-5-methylpyridazin-3-one;ethane.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-5-methylpyridazin-3-one;ethane
PubChem CID169135440
Molecular FormulaC9H14F2N2O
Molecular Weight204.22 g/mol
Exact Mass204.11
IUPAC Name2-(2,2-difluoroethyl)-5-methylpyridazin-3-one;ethane
SMILESCC.Cc1cnn(CC(F)F)c(=O)c1
InChIInChI=1S/C7H8F2N2O.C2H6/c1-5-2-7(12)11(10-3-5)4-6(8)9;1-2/h2-3,6H,4H2,1H3;1-2H3
InChIKeyXCQLUKLFOILBDV-UHFFFAOYSA-N
XLogP1.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2,5-Dimethyl-2,3-dihydropyridazin-3-one
CID 12200173
2-Methyl-5-(trifluoromethyl)pyridazin-3-one
CID 22508455
2,4-Dimethyl-5-(trifluoromethyl)pyridazin-3-one;ethane
CID 142521690
2-(4,4,4-Trifluorobutyl)pyridazin-3-one
CID 144132334
4-Methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
CID 146634955
2-Tert-butyl-5-(trifluoromethyl)pyridazin-3-one
CID 167172098
5-Tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one
CID 176827802
2-(3-Amino-1,1,1-trifluoropropan-2-yl)-5-methylpyridazin-3-one
CID 106548281
2-[2-(Aminomethyl)-3,3,3-trifluoropropyl]-5-methylpyridazin-3-one
CID 106548347
3,3,3-Trifluoro-2-[(4-methyl-6-oxopyridazin-1-yl)methyl]propanenitrile
CID 106548687
5-Methyl-2-[2-(2,2,2-trifluoroethylamino)ethyl]pyridazin-3-one
CID 106549116
Trifluoro-[3-(4-methyl-6-oxopyridazin-1-yl)prop-1-en-2-yl]boranuide
CID 106746486

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-5-methylpyridazin-3-one;ethane?
The IUPAC name of 2-(2,2-difluoroethyl)-5-methylpyridazin-3-one;ethane (CID 169135440) is 2-(2,2-difluoroethyl)-5-methylpyridazin-3-one;ethane.
What is the SMILES notation for 2-(2,2-difluoroethyl)-5-methylpyridazin-3-one;ethane?
The canonical SMILES for 2-(2,2-difluoroethyl)-5-methylpyridazin-3-one;ethane is CC.Cc1cnn(CC(F)F)c(=O)c1.
What is the InChIKey of 2-(2,2-difluoroethyl)-5-methylpyridazin-3-one;ethane?
The InChIKey is XCQLUKLFOILBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O.C2H6/c1-5-2-7(12)11(10-3-5)4-6(8)9;1-2/h2-3,6H,4H2,1H3;1-2H3.
What are the key properties of 2-(2,2-difluoroethyl)-5-methylpyridazin-3-one;ethane?
2-(2,2-difluoroethyl)-5-methylpyridazin-3-one;ethane has a molecular weight of 204.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-5-methylpyridazin-3-one;ethane is sourced from PubChem (CID 169135440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).