6-tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one

C14H20F2N2O — CID 176849388

IUPAC6-tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C14H20F2N2O/c1-13(2,3)11-4-5-12(19)18(17-11)10-6-8-14(15,16)9-7-10/h4-5,10H,6-9H2,1-3H3
InChIKeyMJQJCHYQGDSRRH-UHFFFAOYSA-N
MW270.32 g/mol
LogP3.29
Rot. Bonds1

About 6-tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one

6-tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one (PubChem CID 176849388) has the molecular formula C14H20F2N2O and a molecular weight of 270.32 g/mol. Its IUPAC name is 6-tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one.

Molecular Properties

Compound Name6-tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one
PubChem CID176849388
Molecular FormulaC14H20F2N2O
Molecular Weight270.32 g/mol
Exact Mass270.15
IUPAC Name6-tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one
SMILESCC(C)(C)c1ccc(=O)n(C2CCC(F)(F)CC2)n1
InChIInChI=1S/C14H20F2N2O/c1-13(2,3)11-4-5-12(19)18(17-11)10-6-8-14(15,16)9-7-10/h4-5,10H,6-9H2,1-3H3
InChIKeyMJQJCHYQGDSRRH-UHFFFAOYSA-N
XLogP3.29
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.32
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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-Tert-butyl-2-(2,2-difluorocyclopropyl)pyridazin-3-one
CID 176849403
2-[(1R)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one
CID 99819152
2-[(1S)-cyclohex-2-en-1-yl]-6-(trifluoromethyl)pyridazin-3-one
CID 99819153
2-Cyclohex-2-en-1-yl-6-(trifluoromethyl)pyridazin-3-one
CID 121514883
6-Tert-butyl-2-{[1-(2,2,2-trifluoroethyl)piperidin-4-yl]methyl}-2,3-dihydropyridazin-3-one
CID 126862622
2-Cyclohexyl-6-methyl-2,3-dihydropyridazin-3-one
CID 126857288
6-Tert-butyl-2-(1-methylpiperidin-4-yl)-2,3-dihydropyridazin-3-one
CID 126857329
6-Tert-butyl-2-[(1-cyclohexylpiperidin-4-yl)methyl]-2,3-dihydropyridazin-3-one
CID 126862329
6-Tert-butyl-2-[(1-cyclohexylpyrrolidin-2-yl)methyl]-2,3-dihydropyridazin-3-one
CID 126923938
6-Tert-butyl-2-[(1-cyclohexylazetidin-3-yl)methyl]-2,3-dihydropyridazin-3-one
CID 126927751

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one?
The IUPAC name of 6-tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one (CID 176849388) is 6-tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one.
What is the SMILES notation for 6-tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one?
The canonical SMILES for 6-tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one is CC(C)(C)c1ccc(=O)n(C2CCC(F)(F)CC2)n1.
What is the InChIKey of 6-tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one?
The InChIKey is MJQJCHYQGDSRRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F2N2O/c1-13(2,3)11-4-5-12(19)18(17-11)10-6-8-14(15,16)9-7-10/h4-5,10H,6-9H2,1-3H3.
What are the key properties of 6-tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one?
6-tert-butyl-2-(4,4-difluorocyclohexyl)pyridazin-3-one has a molecular weight of 270.32 g/mol, XLogP of 3.29, 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-(4,4-difluorocyclohexyl)pyridazin-3-one is sourced from PubChem (CID 176849388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).