5,6,7-trifluoro-1,4-dihydroquinoxaline-2,3-dione

C8H3F3N2O2 — CID 10846370

IUPAC5,6,7-trifluoro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(F)c(F)c(F)c2[nH]c1=O
InChIInChI=1S/C8H3F3N2O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)
InChIKeyZEMSHUHCENENAK-UHFFFAOYSA-N
MW216.12 g/mol
LogP0.63
Rot. Bonds

About 5,6,7-trifluoro-1,4-dihydroquinoxaline-2,3-dione

5,6,7-trifluoro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10846370) has the molecular formula C8H3F3N2O2 and a molecular weight of 216.12 g/mol. Its IUPAC name is 5,6,7-trifluoro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name5,6,7-trifluoro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10846370
Molecular FormulaC8H3F3N2O2
Molecular Weight216.12 g/mol
Exact Mass216.01
IUPAC Name5,6,7-trifluoro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(F)c(F)c(F)c2[nH]c1=O
InChIInChI=1S/C8H3F3N2O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15)
InChIKeyZEMSHUHCENENAK-UHFFFAOYSA-N
XLogP0.63
TPSA65.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.12
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6,7-trifluoro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 5,6,7-trifluoro-1,4-dihydroquinoxaline-2,3-dione (CID 10846370) is 5,6,7-trifluoro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 5,6,7-trifluoro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 5,6,7-trifluoro-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(F)c(F)c(F)c2[nH]c1=O.
What is the InChIKey of 5,6,7-trifluoro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is ZEMSHUHCENENAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F3N2O2/c9-2-1-3-6(5(11)4(2)10)13-8(15)7(14)12-3/h1H,(H,12,14)(H,13,15).
What are the key properties of 5,6,7-trifluoro-1,4-dihydroquinoxaline-2,3-dione?
5,6,7-trifluoro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 216.12 g/mol, XLogP of 0.63, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7-trifluoro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10846370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).