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

C11H7F3N2O2 — CID 66573068

IUPAC2-phenyl-6-(trifluoromethyl)-1H-pyridazine-3,4-dione
SMILESO=c1cc(C(F)(F)F)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)9-6-8(17)10(18)16(15-9)7-4-2-1-3-5-7/h1-6,15H
InChIKeyYMFSRZKXGFTZKX-UHFFFAOYSA-N
MW256.18 g/mol
LogP1.54
Rot. Bonds1

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

2-phenyl-6-(trifluoromethyl)-1H-pyridazine-3,4-dione (PubChem CID 66573068) has the molecular formula C11H7F3N2O2 and a molecular weight of 256.18 g/mol. Its IUPAC name is 2-phenyl-6-(trifluoromethyl)-1H-pyridazine-3,4-dione.

Molecular Properties

Compound Name2-phenyl-6-(trifluoromethyl)-1H-pyridazine-3,4-dione
PubChem CID66573068
Molecular FormulaC11H7F3N2O2
Molecular Weight256.18 g/mol
Exact Mass256.05
IUPAC Name2-phenyl-6-(trifluoromethyl)-1H-pyridazine-3,4-dione
SMILESO=c1cc(C(F)(F)F)[nH]n(-c2ccccc2)c1=O
InChIInChI=1S/C11H7F3N2O2/c12-11(13,14)9-6-8(17)10(18)16(15-9)7-4-2-1-3-5-7/h1-6,15H
InChIKeyYMFSRZKXGFTZKX-UHFFFAOYSA-N
XLogP1.54
TPSA54.86 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.18
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-6-(trifluoromethyl)-1H-pyridazine-3,4-dione?
The IUPAC name of 2-phenyl-6-(trifluoromethyl)-1H-pyridazine-3,4-dione (CID 66573068) is 2-phenyl-6-(trifluoromethyl)-1H-pyridazine-3,4-dione.
What is the SMILES notation for 2-phenyl-6-(trifluoromethyl)-1H-pyridazine-3,4-dione?
The canonical SMILES for 2-phenyl-6-(trifluoromethyl)-1H-pyridazine-3,4-dione is O=c1cc(C(F)(F)F)[nH]n(-c2ccccc2)c1=O.
What is the InChIKey of 2-phenyl-6-(trifluoromethyl)-1H-pyridazine-3,4-dione?
The InChIKey is YMFSRZKXGFTZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F3N2O2/c12-11(13,14)9-6-8(17)10(18)16(15-9)7-4-2-1-3-5-7/h1-6,15H.
What are the key properties of 2-phenyl-6-(trifluoromethyl)-1H-pyridazine-3,4-dione?
2-phenyl-6-(trifluoromethyl)-1H-pyridazine-3,4-dione has a molecular weight of 256.18 g/mol, XLogP of 1.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-6-(trifluoromethyl)-1H-pyridazine-3,4-dione is sourced from PubChem (CID 66573068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).