6,7-difluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione

C8H3F2N3O4 — CID 10800253

IUPAC6,7-difluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(F)c(F)c([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C8H3F2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15)
InChIKeyGIUQZJDZWWLXJA-UHFFFAOYSA-N
MW243.12 g/mol
LogP0.40
Rot. Bonds1

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

6,7-difluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10800253) has the molecular formula C8H3F2N3O4 and a molecular weight of 243.12 g/mol. Its IUPAC name is 6,7-difluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6,7-difluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10800253
Molecular FormulaC8H3F2N3O4
Molecular Weight243.12 g/mol
Exact Mass243.01
IUPAC Name6,7-difluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(F)c(F)c([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C8H3F2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15)
InChIKeyGIUQZJDZWWLXJA-UHFFFAOYSA-N
XLogP0.40
TPSA108.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.12
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7-difluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6,7-difluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione (CID 10800253) is 6,7-difluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6,7-difluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6,7-difluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc(F)c(F)c([N+](=O)[O-])c2[nH]c1=O.
What is the InChIKey of 6,7-difluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is GIUQZJDZWWLXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F2N3O4/c9-2-1-3-5(6(4(2)10)13(16)17)12-8(15)7(14)11-3/h1H,(H,11,14)(H,12,15).
What are the key properties of 6,7-difluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione?
6,7-difluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 243.12 g/mol, XLogP of 0.40, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-difluoro-5-nitro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10800253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).