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

C13H18F2N2O — CID 176849391

IUPAC6-tert-butyl-2-(3,3-difluorocyclopentyl)pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(C2CCC(F)(F)C2)n1
InChIInChI=1S/C13H18F2N2O/c1-12(2,3)10-4-5-11(18)17(16-10)9-6-7-13(14,15)8-9/h4-5,9H,6-8H2,1-3H3
InChIKeyUQVUZEOBMYIJGH-UHFFFAOYSA-N
MW256.30 g/mol
LogP2.90
Rot. Bonds1

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

6-tert-butyl-2-(3,3-difluorocyclopentyl)pyridazin-3-one (PubChem CID 176849391) has the molecular formula C13H18F2N2O and a molecular weight of 256.30 g/mol. Its IUPAC name is 6-tert-butyl-2-(3,3-difluorocyclopentyl)pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-(3,3-difluorocyclopentyl)pyridazin-3-one
PubChem CID176849391
Molecular FormulaC13H18F2N2O
Molecular Weight256.30 g/mol
Exact Mass256.14
IUPAC Name6-tert-butyl-2-(3,3-difluorocyclopentyl)pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(C2CCC(F)(F)C2)n1
InChIInChI=1S/C13H18F2N2O/c1-12(2,3)10-4-5-11(18)17(16-10)9-6-7-13(14,15)8-9/h4-5,9H,6-8H2,1-3H3
InChIKeyUQVUZEOBMYIJGH-UHFFFAOYSA-N
XLogP2.90
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-Tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one
CID 176849388
6-Tert-butyl-2-(3,3-difluorocyclobutyl)pyridazin-3-one
CID 176849398
6-Tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one
CID 176849403
6-Cyclopropyl-2-pentyl-4-(trifluoromethyl)pyridazin-3-one
CID 75404364
6-Tert-butyl-2-{[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126862622
2-[(3,3-Difluorocyclopentyl)methyl]-6-methylpyridazin-3-one
CID 132299638
6-Tert-butyl-2-(propan-2-yl)-2,3-dihydropyridazin-3-one
CID 59802747
6-Tert-butyl-2-cyclopropyl-2,3-dihydropyridazin-3-one
CID 126857322
6-Tert-butyl-2-(1-methylpiperidin-4-yl)-2,3-dihydropyridazin-3-one
CID 126857329
6-Tert-butyl-2-[(1-cyclopentylpiperidin-4-yl)methyl]-2,3-dihydropyridazin-3-one
CID 126862327
6-Tert-butyl-2-{[1-(propan-2-yl)pyrrolidin-2-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126923934
6-Tert-butyl-2-[(1-cyclopentylpyrrolidin-2-yl)methyl]-2,3-dihydropyridazin-3-one
CID 126923935

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(3,3-difluorocyclopentyl)pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-(3,3-difluorocyclopentyl)pyridazin-3-one (CID 176849391) is 6-tert-butyl-2-(3,3-difluorocyclopentyl)pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-(3,3-difluorocyclopentyl)pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-(3,3-difluorocyclopentyl)pyridazin-3-one is CC(C)(C)c1ccc(=O)n(C2CCC(F)(F)C2)n1.
What is the InChIKey of 6-tert-butyl-2-(3,3-difluorocyclopentyl)pyridazin-3-one?
The InChIKey is UQVUZEOBMYIJGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F2N2O/c1-12(2,3)10-4-5-11(18)17(16-10)9-6-7-13(14,15)8-9/h4-5,9H,6-8H2,1-3H3.
What are the key properties of 6-tert-butyl-2-(3,3-difluorocyclopentyl)pyridazin-3-one?
6-tert-butyl-2-(3,3-difluorocyclopentyl)pyridazin-3-one has a molecular weight of 256.30 g/mol, XLogP of 2.90, 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-difluorocyclopentyl)pyridazin-3-one is sourced from PubChem (CID 176849391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).