6-bromo-2-(4,4-difluorocyclohexyl)pyridazin-3-one

C10H11BrF2N2O — CID 169238542

IUPAC6-bromo-2-(4,4-difluorocyclohexyl)pyridazin-3-one
SMILESO=c1ccc(Br)nn1C1CCC(F)(F)CC1
InChIInChI=1S/C10H11BrF2N2O/c11-8-1-2-9(16)15(14-8)7-3-5-10(12,13)6-4-7/h1-2,7H,3-6H2
InChIKeySZMVJSMCBIPFAO-UHFFFAOYSA-N
MW293.11 g/mol
LogP2.76
Rot. Bonds1

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

6-bromo-2-(4,4-difluorocyclohexyl)pyridazin-3-one (PubChem CID 169238542) has the molecular formula C10H11BrF2N2O and a molecular weight of 293.11 g/mol. Its IUPAC name is 6-bromo-2-(4,4-difluorocyclohexyl)pyridazin-3-one.

Molecular Properties

Compound Name6-bromo-2-(4,4-difluorocyclohexyl)pyridazin-3-one
PubChem CID169238542
Molecular FormulaC10H11BrF2N2O
Molecular Weight293.11 g/mol
Exact Mass292.00
IUPAC Name6-bromo-2-(4,4-difluorocyclohexyl)pyridazin-3-one
SMILESO=c1ccc(Br)nn1C1CCC(F)(F)CC1
InChIInChI=1S/C10H11BrF2N2O/c11-8-1-2-9(16)15(14-8)7-3-5-10(12,13)6-4-7/h1-2,7H,3-6H2
InChIKeySZMVJSMCBIPFAO-UHFFFAOYSA-N
XLogP2.76
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.11
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(4,4-difluorocyclohexyl)pyridazin-3-one?
The IUPAC name of 6-bromo-2-(4,4-difluorocyclohexyl)pyridazin-3-one (CID 169238542) is 6-bromo-2-(4,4-difluorocyclohexyl)pyridazin-3-one.
What is the SMILES notation for 6-bromo-2-(4,4-difluorocyclohexyl)pyridazin-3-one?
The canonical SMILES for 6-bromo-2-(4,4-difluorocyclohexyl)pyridazin-3-one is O=c1ccc(Br)nn1C1CCC(F)(F)CC1.
What is the InChIKey of 6-bromo-2-(4,4-difluorocyclohexyl)pyridazin-3-one?
The InChIKey is SZMVJSMCBIPFAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrF2N2O/c11-8-1-2-9(16)15(14-8)7-3-5-10(12,13)6-4-7/h1-2,7H,3-6H2.
What are the key properties of 6-bromo-2-(4,4-difluorocyclohexyl)pyridazin-3-one?
6-bromo-2-(4,4-difluorocyclohexyl)pyridazin-3-one has a molecular weight of 293.11 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(4,4-difluorocyclohexyl)pyridazin-3-one is sourced from PubChem (CID 169238542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).