6-(trifluoromethyl)quinoxaline-2,3-dione

C9H3F3N2O2 — CID 54314193

IUPAC6-(trifluoromethyl)quinoxaline-2,3-dione
SMILESO=C1N=c2ccc(C(F)(F)F)cc2=NC1=O
InChIInChI=1S/C9H3F3N2O2/c10-9(11,12)4-1-2-5-6(3-4)14-8(16)7(15)13-5/h1-3H
InChIKeySMZQGJSVTZTEIK-UHFFFAOYSA-N
MW228.13 g/mol
LogP0.01
Rot. Bonds

About 6-(trifluoromethyl)quinoxaline-2,3-dione

6-(trifluoromethyl)quinoxaline-2,3-dione (PubChem CID 54314193) has the molecular formula C9H3F3N2O2 and a molecular weight of 228.13 g/mol. Its IUPAC name is 6-(trifluoromethyl)quinoxaline-2,3-dione.

Molecular Properties

Compound Name6-(trifluoromethyl)quinoxaline-2,3-dione
PubChem CID54314193
Molecular FormulaC9H3F3N2O2
Molecular Weight228.13 g/mol
Exact Mass228.01
IUPAC Name6-(trifluoromethyl)quinoxaline-2,3-dione
SMILESO=C1N=c2ccc(C(F)(F)F)cc2=NC1=O
InChIInChI=1S/C9H3F3N2O2/c10-9(11,12)4-1-2-5-6(3-4)14-8(16)7(15)13-5/h1-3H
InChIKeySMZQGJSVTZTEIK-UHFFFAOYSA-N
XLogP0.01
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.13
LogP ≤ 50.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 6-(trifluoromethyl)quinoxaline-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)quinoxaline-2,3-dione?
The IUPAC name of 6-(trifluoromethyl)quinoxaline-2,3-dione (CID 54314193) is 6-(trifluoromethyl)quinoxaline-2,3-dione.
What is the SMILES notation for 6-(trifluoromethyl)quinoxaline-2,3-dione?
The canonical SMILES for 6-(trifluoromethyl)quinoxaline-2,3-dione is O=C1N=c2ccc(C(F)(F)F)cc2=NC1=O.
What is the InChIKey of 6-(trifluoromethyl)quinoxaline-2,3-dione?
The InChIKey is SMZQGJSVTZTEIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H3F3N2O2/c10-9(11,12)4-1-2-5-6(3-4)14-8(16)7(15)13-5/h1-3H.
What are the key properties of 6-(trifluoromethyl)quinoxaline-2,3-dione?
6-(trifluoromethyl)quinoxaline-2,3-dione has a molecular weight of 228.13 g/mol, XLogP of 0.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)quinoxaline-2,3-dione is sourced from PubChem (CID 54314193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).