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

C7H8F2N2O — CID 130636814

IUPAC2-(2,2-difluoroethyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CC(F)F)c(=O)c1
InChIInChI=1S/C7H8F2N2O/c1-5-2-7(12)11(10-3-5)4-6(8)9/h2-3,6H,4H2,1H3
InChIKeySZZFEGJNWYRZSJ-UHFFFAOYSA-N
MW174.15 g/mol
LogP0.82
Rot. Bonds2

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

2-(2,2-difluoroethyl)-5-methylpyridazin-3-one (PubChem CID 130636814) has the molecular formula C7H8F2N2O and a molecular weight of 174.15 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-5-methylpyridazin-3-one.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-5-methylpyridazin-3-one
PubChem CID130636814
Molecular FormulaC7H8F2N2O
Molecular Weight174.15 g/mol
Exact Mass174.06
IUPAC Name2-(2,2-difluoroethyl)-5-methylpyridazin-3-one
SMILESCc1cnn(CC(F)F)c(=O)c1
InChIInChI=1S/C7H8F2N2O/c1-5-2-7(12)11(10-3-5)4-6(8)9/h2-3,6H,4H2,1H3
InChIKeySZZFEGJNWYRZSJ-UHFFFAOYSA-N
XLogP0.82
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.15
LogP ≤ 50.82
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
CID 22968956
2-(2,2,2-Trifluoroethyl)-2,3-dihydropyridazin-3-one
CID 91321894
2-(2,2-Difluoroethyl)-5-iodopyridazin-3-one
CID 114553445
2,4-Dimethyl-5-(trifluoromethyl)pyridazin-3-one;ethane
CID 142521690
4-Methyl-2-propan-2-yl-5-(trifluoromethyl)pyridazin-3-one
CID 146634955
2-Tert-butyl-5-(trifluoromethyl)pyridazin-3-one
CID 167172098
2,5-Dimethyl-4-(trifluoromethyl)pyridazin-3-one
CID 169818330
2-(1,2,2-Trifluoroethyl)pyridazin-3-one
CID 174406516
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

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-5-methylpyridazin-3-one?
The IUPAC name of 2-(2,2-difluoroethyl)-5-methylpyridazin-3-one (CID 130636814) is 2-(2,2-difluoroethyl)-5-methylpyridazin-3-one.
What is the SMILES notation for 2-(2,2-difluoroethyl)-5-methylpyridazin-3-one?
The canonical SMILES for 2-(2,2-difluoroethyl)-5-methylpyridazin-3-one is Cc1cnn(CC(F)F)c(=O)c1.
What is the InChIKey of 2-(2,2-difluoroethyl)-5-methylpyridazin-3-one?
The InChIKey is SZZFEGJNWYRZSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2O/c1-5-2-7(12)11(10-3-5)4-6(8)9/h2-3,6H,4H2,1H3.
What are the key properties of 2-(2,2-difluoroethyl)-5-methylpyridazin-3-one?
2-(2,2-difluoroethyl)-5-methylpyridazin-3-one has a molecular weight of 174.15 g/mol, XLogP of 0.82, 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 is sourced from PubChem (CID 130636814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).