6-chloro-5,7-difluoro-8-nitro-1,4-dihydroquinoxaline-2,3-dione

C8H2ClF2N3O4 — CID 10516683

IUPAC6-chloro-5,7-difluoro-8-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2c(F)c(Cl)c(F)c([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C8H2ClF2N3O4/c9-1-2(10)4-5(6(3(1)11)14(17)18)13-8(16)7(15)12-4/h(H,12,15)(H,13,16)
InChIKeyFTRLGDQQOKODGU-UHFFFAOYSA-N
MW277.57 g/mol
LogP1.06
Rot. Bonds1

About 6-chloro-5,7-difluoro-8-nitro-1,4-dihydroquinoxaline-2,3-dione

6-chloro-5,7-difluoro-8-nitro-1,4-dihydroquinoxaline-2,3-dione (PubChem CID 10516683) has the molecular formula C8H2ClF2N3O4 and a molecular weight of 277.57 g/mol. Its IUPAC name is 6-chloro-5,7-difluoro-8-nitro-1,4-dihydroquinoxaline-2,3-dione.

Molecular Properties

Compound Name6-chloro-5,7-difluoro-8-nitro-1,4-dihydroquinoxaline-2,3-dione
PubChem CID10516683
Molecular FormulaC8H2ClF2N3O4
Molecular Weight277.57 g/mol
Exact Mass276.97
IUPAC Name6-chloro-5,7-difluoro-8-nitro-1,4-dihydroquinoxaline-2,3-dione
SMILESO=c1[nH]c2c(F)c(Cl)c(F)c([N+](=O)[O-])c2[nH]c1=O
InChIInChI=1S/C8H2ClF2N3O4/c9-1-2(10)4-5(6(3(1)11)14(17)18)13-8(16)7(15)12-4/h(H,12,15)(H,13,16)
InChIKeyFTRLGDQQOKODGU-UHFFFAOYSA-N
XLogP1.06
TPSA108.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.57
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', '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-chloro-5,7-difluoro-8-nitro-1,4-dihydroquinoxaline-2,3-dione?
The IUPAC name of 6-chloro-5,7-difluoro-8-nitro-1,4-dihydroquinoxaline-2,3-dione (CID 10516683) is 6-chloro-5,7-difluoro-8-nitro-1,4-dihydroquinoxaline-2,3-dione.
What is the SMILES notation for 6-chloro-5,7-difluoro-8-nitro-1,4-dihydroquinoxaline-2,3-dione?
The canonical SMILES for 6-chloro-5,7-difluoro-8-nitro-1,4-dihydroquinoxaline-2,3-dione is O=c1[nH]c2c(F)c(Cl)c(F)c([N+](=O)[O-])c2[nH]c1=O.
What is the InChIKey of 6-chloro-5,7-difluoro-8-nitro-1,4-dihydroquinoxaline-2,3-dione?
The InChIKey is FTRLGDQQOKODGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H2ClF2N3O4/c9-1-2(10)4-5(6(3(1)11)14(17)18)13-8(16)7(15)12-4/h(H,12,15)(H,13,16).
What are the key properties of 6-chloro-5,7-difluoro-8-nitro-1,4-dihydroquinoxaline-2,3-dione?
6-chloro-5,7-difluoro-8-nitro-1,4-dihydroquinoxaline-2,3-dione has a molecular weight of 277.57 g/mol, XLogP of 1.06, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5,7-difluoro-8-nitro-1,4-dihydroquinoxaline-2,3-dione is sourced from PubChem (CID 10516683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).