5-tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one

C10H14F2N2O — CID 176827802

IUPAC5-tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one
SMILESCC(C)(C)c1cnn(CC(F)F)c(=O)c1
InChIInChI=1S/C10H14F2N2O/c1-10(2,3)7-4-9(15)14(13-5-7)6-8(11)12/h4-5,8H,6H2,1-3H3
InChIKeyXYTQNSGTDPRNOV-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.81
Rot. Bonds2

About 5-tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one

5-tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one (PubChem CID 176827802) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 5-tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one.

Molecular Properties

Compound Name5-tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one
PubChem CID176827802
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name5-tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one
SMILESCC(C)(C)c1cnn(CC(F)F)c(=O)c1
InChIInChI=1S/C10H14F2N2O/c1-10(2,3)7-4-9(15)14(13-5-7)6-8(11)12/h4-5,8H,6H2,1-3H3
InChIKeyXYTQNSGTDPRNOV-UHFFFAOYSA-N
XLogP1.81
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,2-Difluoroethyl)-4-propan-2-ylpyridazin-3-one
CID 178099321
4-Ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 178099390
4-Propan-2-yl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 178099526
2-(2,2-Difluoroethyl)-5-methylpyridazin-3-one
CID 130636814
2-Methyl-5-propan-2-ylpyridazin-3-one
CID 12864814
5-Tert-butyl-2-methylpyridazin-3-one
CID 59549204
2,5-Ditert-butylpyridazin-3-one
CID 60052312
5-Propan-2-yl-2-(trideuteriomethyl)pyridazin-3-one
CID 154598825
5-Tert-butyl-2-methylpyridazin-3-one;ethane
CID 158942496
2,5-Ditert-butylpyridazin-3-one;ethane
CID 161842620
2-(2,2-Difluoroethyl)-5-methylpyridazin-3-one;ethane
CID 169135440
5-Tert-butyl-2-propan-2-ylpyridazin-3-one
CID 176827758

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one?
The IUPAC name of 5-tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one (CID 176827802) is 5-tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one.
What is the SMILES notation for 5-tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one?
The canonical SMILES for 5-tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one is CC(C)(C)c1cnn(CC(F)F)c(=O)c1.
What is the InChIKey of 5-tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one?
The InChIKey is XYTQNSGTDPRNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-10(2,3)7-4-9(15)14(13-5-7)6-8(11)12/h4-5,8H,6H2,1-3H3.
What are the key properties of 5-tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one?
5-tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one has a molecular weight of 216.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2,2-difluoroethyl)pyridazin-3-one is sourced from PubChem (CID 176827802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).