6-fluoro-5,7-dinitro-1,4-dihydroquinoxaline-2,3-dione

C8H3FN4O6 — CID 21189952

IUPAC6-fluoro-5,7-dinitro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc([N+](=O)[O-])c(F)c([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C8H3FN4O6/c9-4-3(12(16)17)1-2-5(6(4)13(18)19)11-8(15)7(14)10-2/h1H,(H,10,14)(H,11,15)
InChIKeyDSZQPBJBGARVAP-UHFFFAOYSA-N
MW270.13 g/mol
LogP0.17
Rot. Bonds2

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

6-fluoro-5,7-dinitro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 21189952) has the molecular formula C8H3FN4O6 and a molecular weight of 270.13 g/mol. Its IUPAC name is 6-fluoro-5,7-dinitro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-fluoro-5,7-dinitro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID21189952
Molecular FormulaC8H3FN4O6
Molecular Weight270.13 g/mol
Exact Mass270.00
IUPAC Name6-fluoro-5,7-dinitro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2cc([N+](=O)[O-])c(F)c([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C8H3FN4O6/c9-4-3(12(16)17)1-2-5(6(4)13(18)19)11-8(15)7(14)10-2/h1H,(H,10,14)(H,11,15)
InChIKeyDSZQPBJBGARVAP-UHFFFAOYSA-N
XLogP0.17
TPSA152.00 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.13
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-fluoro-5,7-dinitro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-fluoro-5,7-dinitro-1,4-dihydroquinoxaline-2,3-dione (CID 21189952) is 6-fluoro-5,7-dinitro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-fluoro-5,7-dinitro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-fluoro-5,7-dinitro-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2cc([N+](=O)[O-])c(F)c([N+](=O)[O-])c2[nH]c1=O.
What is the InChIKey of 6-fluoro-5,7-dinitro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is DSZQPBJBGARVAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3FN4O6/c9-4-3(12(16)17)1-2-5(6(4)13(18)19)11-8(15)7(14)10-2/h1H,(H,10,14)(H,11,15).
What are the key properties of 6-fluoro-5,7-dinitro-1,4-dihydroquinoxaline-2,3-dione?
6-fluoro-5,7-dinitro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 270.13 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5,7-dinitro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 21189952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).