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

C12H16F2N2O — CID 176849398

IUPAC6-tert-butyl-2-(3,3-difluorocyclobutyl)pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(C2CC(F)(F)C2)n1
InChIInChI=1S/C12H16F2N2O/c1-11(2,3)9-4-5-10(17)16(15-9)8-6-12(13,14)7-8/h4-5,8H,6-7H2,1-3H3
InChIKeyCHSSYNBGGVRKGY-UHFFFAOYSA-N
MW242.27 g/mol
LogP2.51
Rot. Bonds1

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

6-tert-butyl-2-(3,3-difluorocyclobutyl)pyridazin-3-one (PubChem CID 176849398) has the molecular formula C12H16F2N2O and a molecular weight of 242.27 g/mol. Its IUPAC name is 6-tert-butyl-2-(3,3-difluorocyclobutyl)pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-(3,3-difluorocyclobutyl)pyridazin-3-one
PubChem CID176849398
Molecular FormulaC12H16F2N2O
Molecular Weight242.27 g/mol
Exact Mass242.12
IUPAC Name6-tert-butyl-2-(3,3-difluorocyclobutyl)pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(C2CC(F)(F)C2)n1
InChIInChI=1S/C12H16F2N2O/c1-11(2,3)9-4-5-10(17)16(15-9)8-6-12(13,14)7-8/h4-5,8H,6-7H2,1-3H3
InChIKeyCHSSYNBGGVRKGY-UHFFFAOYSA-N
XLogP2.51
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.27
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclobutyl-1-methyl-6-oxo-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 132383259
6-Ethyl-2-(2,2,2-trifluoroethyl)pyridazin-3-one
CID 142603797
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-(2,2-difluorocyclopropyl)pyridazin-3-one
CID 176849403
6-Tert-butyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 59802747
6-Tert-butyl-2-(2-methylprop-2-enyl)pyridazin-3-one
CID 86768958
2-(4-Aminobutan-2-yl)-6-tert-butyl-2,3-dihydropyridazin-3-one
CID 122239439
6-Tert-butyl-2-(prop-2-en-1-yl)-2,3-dihydropyridazin-3-one
CID 126853155
6-Tert-butyl-2-cyclopropyl-2,3-dihydropyridazin-3-one
CID 126857322
6-Tert-butyl-2-(cyclopropylmethyl)-2,3-dihydropyridazin-3-one
CID 126857323

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(3,3-difluorocyclobutyl)pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-(3,3-difluorocyclobutyl)pyridazin-3-one (CID 176849398) is 6-tert-butyl-2-(3,3-difluorocyclobutyl)pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-(3,3-difluorocyclobutyl)pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-(3,3-difluorocyclobutyl)pyridazin-3-one is CC(C)(C)c1ccc(=O)n(C2CC(F)(F)C2)n1.
What is the InChIKey of 6-tert-butyl-2-(3,3-difluorocyclobutyl)pyridazin-3-one?
The InChIKey is CHSSYNBGGVRKGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F2N2O/c1-11(2,3)9-4-5-10(17)16(15-9)8-6-12(13,14)7-8/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 6-tert-butyl-2-(3,3-difluorocyclobutyl)pyridazin-3-one?
6-tert-butyl-2-(3,3-difluorocyclobutyl)pyridazin-3-one has a molecular weight of 242.27 g/mol, XLogP of 2.51, 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-(3,3-difluorocyclobutyl)pyridazin-3-one is sourced from PubChem (CID 176849398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).