7-chloro-5-(trifluoromethyl)quinoxaline-2,3-dione

C9H2ClF3N2O2 — CID 54230131

IUPAC7-chloro-5-(trifluoromethyl)quinoxaline-2,3-dione
SMILESO=C1N=c2cc(Cl)cc(C(F)(F)F)c2=NC1=O
InChIInChI=1S/C9H2ClF3N2O2/c10-3-1-4(9(11,12)13)6-5(2-3)14-7(16)8(17)15-6/h1-2H
InChIKeyQIQVECASOZXHEY-UHFFFAOYSA-N
MW262.57 g/mol
LogP0.66
Rot. Bonds

About 7-chloro-5-(trifluoromethyl)quinoxaline-2,3-dione

7-chloro-5-(trifluoromethyl)quinoxaline-2,3-dione (PubChem CID 54230131) has the molecular formula C9H2ClF3N2O2 and a molecular weight of 262.57 g/mol. Its IUPAC name is 7-chloro-5-(trifluoromethyl)quinoxaline-2,3-dione.

Molecular Properties

Compound Name7-chloro-5-(trifluoromethyl)quinoxaline-2,3-dione
PubChem CID54230131
Molecular FormulaC9H2ClF3N2O2
Molecular Weight262.57 g/mol
Exact Mass261.98
IUPAC Name7-chloro-5-(trifluoromethyl)quinoxaline-2,3-dione
SMILESO=C1N=c2cc(Cl)cc(C(F)(F)F)c2=NC1=O
InChIInChI=1S/C9H2ClF3N2O2/c10-3-1-4(9(11,12)13)6-5(2-3)14-7(16)8(17)15-6/h1-2H
InChIKeyQIQVECASOZXHEY-UHFFFAOYSA-N
XLogP0.66
TPSA58.86 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.57
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(trifluoromethyl)quinoxaline-2,3-dione?
The IUPAC name of 7-chloro-5-(trifluoromethyl)quinoxaline-2,3-dione (CID 54230131) is 7-chloro-5-(trifluoromethyl)quinoxaline-2,3-dione.
What is the SMILES notation for 7-chloro-5-(trifluoromethyl)quinoxaline-2,3-dione?
The canonical SMILES for 7-chloro-5-(trifluoromethyl)quinoxaline-2,3-dione is O=C1N=c2cc(Cl)cc(C(F)(F)F)c2=NC1=O.
What is the InChIKey of 7-chloro-5-(trifluoromethyl)quinoxaline-2,3-dione?
The InChIKey is QIQVECASOZXHEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H2ClF3N2O2/c10-3-1-4(9(11,12)13)6-5(2-3)14-7(16)8(17)15-6/h1-2H.
What are the key properties of 7-chloro-5-(trifluoromethyl)quinoxaline-2,3-dione?
7-chloro-5-(trifluoromethyl)quinoxaline-2,3-dione has a molecular weight of 262.57 g/mol, XLogP of 0.66, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(trifluoromethyl)quinoxaline-2,3-dione is sourced from PubChem (CID 54230131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).