2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridazine-3,4-dione

C11H6F4N2O2 — CID 66573176

IUPAC2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridazine-3,4-dione
SMILESO=c1cc(C(F)(F)F)[nH]n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C11H6F4N2O2/c12-6-1-3-7(4-2-6)17-10(19)8(18)5-9(16-17)11(13,14)15/h1-5,16H
InChIKeyRAXRGBFCHDZXFW-UHFFFAOYSA-N
MW274.17 g/mol
LogP1.68
Rot. Bonds1

About 2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridazine-3,4-dione

2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridazine-3,4-dione (PubChem CID 66573176) has the molecular formula C11H6F4N2O2 and a molecular weight of 274.17 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridazine-3,4-dione.

Molecular Properties

Compound Name2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridazine-3,4-dione
PubChem CID66573176
Molecular FormulaC11H6F4N2O2
Molecular Weight274.17 g/mol
Exact Mass274.04
IUPAC Name2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridazine-3,4-dione
SMILESO=c1cc(C(F)(F)F)[nH]n(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C11H6F4N2O2/c12-6-1-3-7(4-2-6)17-10(19)8(18)5-9(16-17)11(13,14)15/h1-5,16H
InChIKeyRAXRGBFCHDZXFW-UHFFFAOYSA-N
XLogP1.68
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

6-hydroxy-2-phenylpyridazin-3(2H)-one
CID 74333
2-Phenyl-5-trifluoromethyl-2H-pyrazol-3-ol
CID 892717
6-chloro-4-hydroxy-2-phenyl-3(2H)-pyridazinone
CID 779542
4-Trifluoroacetyl-3-methyl-1-phenyl-5-pyrazolone
CID 781778
3,4-Pyridazinedione, 1,2-dihydro-6-methyl-1-(3-(trifluoromethyl)phenyl)-
CID 3073144
1-(4-fluorophenyl)-3-methyl-1H-pyrazol-5-ol
CID 341367
Pentafluorophenyl-3-methylpyrazolin-5-one
CID 6999224
4-chloro-1-phenyl-3-(trifluoromethyl)-1H-pyrazol-5-ol
CID 19430068
4-hydroxy-2-phenyl-6-(trifluoromethyl)pyridazin-3(2H)-one
CID 66573068
1H-Pyrazol-5-ol, 1-phenyl-3-(1,1,2,2-tetrafluoroethyl)-
CID 766758
2-[1-(4-fluorophenyl)-5-oxo-2,5-dihydro-1H-pyrazol-3-yl]acetohydrazide
CID 4962219
5-(1,1,2,2,2-pentafluoroethyl)-2-phenyl-4-phenyldiazenyl-1H-pyrazol-3-one
CID 177375999

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridazine-3,4-dione?
The IUPAC name of 2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridazine-3,4-dione (CID 66573176) is 2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridazine-3,4-dione.
What is the SMILES notation for 2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridazine-3,4-dione?
The canonical SMILES for 2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridazine-3,4-dione is O=c1cc(C(F)(F)F)[nH]n(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridazine-3,4-dione?
The InChIKey is RAXRGBFCHDZXFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N2O2/c12-6-1-3-7(4-2-6)17-10(19)8(18)5-9(16-17)11(13,14)15/h1-5,16H.
What are the key properties of 2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridazine-3,4-dione?
2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridazine-3,4-dione has a molecular weight of 274.17 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-6-(trifluoromethyl)-1H-pyridazine-3,4-dione is sourced from PubChem (CID 66573176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).