6-tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one

C11H14F2N2O — CID 176849403

IUPAC6-tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(C2CC2(F)F)n1
InChIInChI=1S/C11H14F2N2O/c1-10(2,3)7-4-5-9(16)15(14-7)8-6-11(8,12)13/h4-5,8H,6H2,1-3H3
InChIKeyWKWCRZJMVLRSCY-UHFFFAOYSA-N
MW228.24 g/mol
LogP2.12
Rot. Bonds1

About 6-tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one

6-tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one (PubChem CID 176849403) has the molecular formula C11H14F2N2O and a molecular weight of 228.24 g/mol. Its IUPAC name is 6-tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one
PubChem CID176849403
Molecular FormulaC11H14F2N2O
Molecular Weight228.24 g/mol
Exact Mass228.11
IUPAC Name6-tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(C2CC2(F)F)n1
InChIInChI=1S/C11H14F2N2O/c1-10(2,3)7-4-5-9(16)15(14-7)8-6-11(8,12)13/h4-5,8H,6H2,1-3H3
InChIKeyWKWCRZJMVLRSCY-UHFFFAOYSA-N
XLogP2.12
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.24
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-Tert-butyl-2-(trifluoromethyl)pyridazin-3-one
CID 122606715
6-Ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 142603797
2-(1-Fluoroethyl)-6-propan-2-ylpyridazin-3-one
CID 170175302
2-(2,2-Difluoroethyl)-6-propan-2-ylpyridazin-3-one
CID 176725895
6-Tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one
CID 176849388
6-Tert-butyl-2-(3,3-difluorocyclopentyl)pyridazin-3-one
CID 176849391
6-Tert-butyl-2-(3,3-difluorocyclobutyl)pyridazin-3-one
CID 176849398
6-Cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one
CID 75404364
6-Cyclopropyl-2-(2,2,2-trifluoroethyl)-2,3-dihydropyridazin-3-one
CID 126857342
2-Cyclopropyl-6-(trifluoromethyl)-2,3-dihydropyridazin-3-one
CID 126857486
6-Tert-butyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 59802747
2-Cyclopropyl-6-methyl-2,3-dihydropyridazin-3-one
CID 126857284

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one (CID 176849403) is 6-tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one is CC(C)(C)c1ccc(=O)n(C2CC2(F)F)n1.
What is the InChIKey of 6-tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one?
The InChIKey is WKWCRZJMVLRSCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F2N2O/c1-10(2,3)7-4-5-9(16)15(14-7)8-6-11(8,12)13/h4-5,8H,6H2,1-3H3.
What are the key properties of 6-tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one?
6-tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one has a molecular weight of 228.24 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one is sourced from PubChem (CID 176849403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).