2-(3,3-dimethyl-2-oxobutyl)-6-(2-fluorophenyl)pyridazin-3-one

C16H17FN2O2 — CID 51044548

IUPAC2-(3,3-dimethyl-2-oxobutyl)-6-(2-fluorophenyl)pyridazin-3-one
SMILESCC(C)(C)C(=O)Cn1nc(-c2ccccc2F)ccc1=O
InChIInChI=1S/C16H17FN2O2/c1-16(2,3)14(20)10-19-15(21)9-8-13(18-19)11-6-4-5-7-12(11)17/h4-9H,10H2,1-3H3
InChIKeyVNXSAPYXYZOZOG-UHFFFAOYSA-N
MW288.32 g/mol
LogP2.66
Rot. Bonds3

About 2-(3,3-dimethyl-2-oxobutyl)-6-(2-fluorophenyl)pyridazin-3-one

2-(3,3-dimethyl-2-oxobutyl)-6-(2-fluorophenyl)pyridazin-3-one (PubChem CID 51044548) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 2-(3,3-dimethyl-2-oxobutyl)-6-(2-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-(3,3-dimethyl-2-oxobutyl)-6-(2-fluorophenyl)pyridazin-3-one
PubChem CID51044548
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name2-(3,3-dimethyl-2-oxobutyl)-6-(2-fluorophenyl)pyridazin-3-one
SMILESCC(C)(C)C(=O)Cn1nc(-c2ccccc2F)ccc1=O
InChIInChI=1S/C16H17FN2O2/c1-16(2,3)14(20)10-19-15(21)9-8-13(18-19)11-6-4-5-7-12(11)17/h4-9H,10H2,1-3H3
InChIKeyVNXSAPYXYZOZOG-UHFFFAOYSA-N
XLogP2.66
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,3-dimethyl-2-oxobutyl)-6-(2-fluorophenyl)pyridazin-3-one?
The IUPAC name of 2-(3,3-dimethyl-2-oxobutyl)-6-(2-fluorophenyl)pyridazin-3-one (CID 51044548) is 2-(3,3-dimethyl-2-oxobutyl)-6-(2-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-(3,3-dimethyl-2-oxobutyl)-6-(2-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 2-(3,3-dimethyl-2-oxobutyl)-6-(2-fluorophenyl)pyridazin-3-one is CC(C)(C)C(=O)Cn1nc(-c2ccccc2F)ccc1=O.
What is the InChIKey of 2-(3,3-dimethyl-2-oxobutyl)-6-(2-fluorophenyl)pyridazin-3-one?
The InChIKey is VNXSAPYXYZOZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-16(2,3)14(20)10-19-15(21)9-8-13(18-19)11-6-4-5-7-12(11)17/h4-9H,10H2,1-3H3.
What are the key properties of 2-(3,3-dimethyl-2-oxobutyl)-6-(2-fluorophenyl)pyridazin-3-one?
2-(3,3-dimethyl-2-oxobutyl)-6-(2-fluorophenyl)pyridazin-3-one has a molecular weight of 288.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,3-dimethyl-2-oxobutyl)-6-(2-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 51044548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).