2-tert-butyl-4,5-difluoropyridazin-3-one

C8H10F2N2O — CID 22358151

IUPAC2-tert-butyl-4,5-difluoropyridazin-3-one
SMILESCC(C)(C)n1ncc(F)c(F)c1=O
InChIInChI=1S/C8H10F2N2O/c1-8(2,3)12-7(13)6(10)5(9)4-11-12/h4H,1-3H3
InChIKeyKWVVRRDVFZKKFV-UHFFFAOYSA-N
MW188.18 g/mol
LogP1.28
Rot. Bonds

About 2-tert-butyl-4,5-difluoropyridazin-3-one

2-tert-butyl-4,5-difluoropyridazin-3-one (PubChem CID 22358151) has the molecular formula C8H10F2N2O and a molecular weight of 188.18 g/mol. Its IUPAC name is 2-tert-butyl-4,5-difluoropyridazin-3-one.

Molecular Properties

Compound Name2-tert-butyl-4,5-difluoropyridazin-3-one
PubChem CID22358151
Molecular FormulaC8H10F2N2O
Molecular Weight188.18 g/mol
Exact Mass188.08
IUPAC Name2-tert-butyl-4,5-difluoropyridazin-3-one
SMILESCC(C)(C)n1ncc(F)c(F)c1=O
InChIInChI=1S/C8H10F2N2O/c1-8(2,3)12-7(13)6(10)5(9)4-11-12/h4H,1-3H3
InChIKeyKWVVRRDVFZKKFV-UHFFFAOYSA-N
XLogP1.28
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.18
LogP ≤ 51.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4,5-difluoropyridazin-3-one?
The IUPAC name of 2-tert-butyl-4,5-difluoropyridazin-3-one (CID 22358151) is 2-tert-butyl-4,5-difluoropyridazin-3-one.
What is the SMILES notation for 2-tert-butyl-4,5-difluoropyridazin-3-one?
The canonical SMILES for 2-tert-butyl-4,5-difluoropyridazin-3-one is CC(C)(C)n1ncc(F)c(F)c1=O.
What is the InChIKey of 2-tert-butyl-4,5-difluoropyridazin-3-one?
The InChIKey is KWVVRRDVFZKKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F2N2O/c1-8(2,3)12-7(13)6(10)5(9)4-11-12/h4H,1-3H3.
What are the key properties of 2-tert-butyl-4,5-difluoropyridazin-3-one?
2-tert-butyl-4,5-difluoropyridazin-3-one has a molecular weight of 188.18 g/mol, XLogP of 1.28, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4,5-difluoropyridazin-3-one is sourced from PubChem (CID 22358151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).