8-chloro-4-hydroxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione

C9H4ClF3N2O3 — CID 10707925

IUPAC8-chloro-4-hydroxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2c(Cl)cc(C(F)(F)F)cc2n(O)c1=O
InChIInChI=1S/C9H4ClF3N2O3/c10-4-1-3(9(11,12)13)2-5-6(4)14-7(16)8(17)15(5)18/h1-2,18H,(H,14,16)
InChIKeySPPZVJKNPWQBKT-UHFFFAOYSA-N
MW280.59 g/mol
LogP1.60
Rot. Bonds

About 8-chloro-4-hydroxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione

8-chloro-4-hydroxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione (PubChem CID 10707925) has the molecular formula C9H4ClF3N2O3 and a molecular weight of 280.59 g/mol. Its IUPAC name is 8-chloro-4-hydroxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name8-chloro-4-hydroxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione
PubChem CID10707925
Molecular FormulaC9H4ClF3N2O3
Molecular Weight280.59 g/mol
Exact Mass279.99
IUPAC Name8-chloro-4-hydroxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2c(Cl)cc(C(F)(F)F)cc2n(O)c1=O
InChIInChI=1S/C9H4ClF3N2O3/c10-4-1-3(9(11,12)13)2-5-6(4)14-7(16)8(17)15(5)18/h1-2,18H,(H,14,16)
InChIKeySPPZVJKNPWQBKT-UHFFFAOYSA-N
XLogP1.60
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.59
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 8-chloro-4-hydroxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione with MolForge

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Related Compounds

Acea 1011
CID 127872
6-Chloro-7-methyl-1,4-dihydro-quinoxaline-2,3-dione
CID 10512659
5,6-Dichloro-7-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 10542132
5-Chloro-6-nitro-7-trifluoromethyl-1,4-dihydroquinoxaline-2,3-dione
CID 10566875
6-Chloro-7-trifluoromethyl-1,4-dihydro-2,3-quinoxalinedione
CID 10611689
7-Chloro-5-trifluoromethyl-1,4-dihydro-2,3-quinoxalinedione
CID 10611690
5-Chloro-8-nitro-7-trifluoromethyl-1,4-dihydroquinoxaline-2,3-dione
CID 10686343
8-Amino-5-chloro-7-Trifluoromethyl-1,4-dihydroquinoxaline-2,3-dione
CID 10802656
Fcdsreofvhadgt-uhfffaoysa-
CID 21727535
Zhhbbpymlqwrjt-uhfffaoysa-
CID 21727536
6-Amino-7-chloro-5-(trifluoromethyl)-1,4-dihydroquinoxaline-2,3-dione
CID 10492969
6-Amino-5-chloro-7-trifluoromethyl-1,4-dihydroquinoxaline-2,3-dione
CID 10779078

Frequently Asked Questions

What is the IUPAC name of 8-chloro-4-hydroxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The IUPAC name of 8-chloro-4-hydroxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione (CID 10707925) is 8-chloro-4-hydroxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 8-chloro-4-hydroxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The canonical SMILES for 8-chloro-4-hydroxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione is O=c1[nH]c2c(Cl)cc(C(F)(F)F)cc2n(O)c1=O.
What is the InChIKey of 8-chloro-4-hydroxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The InChIKey is SPPZVJKNPWQBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4ClF3N2O3/c10-4-1-3(9(11,12)13)2-5-6(4)14-7(16)8(17)15(5)18/h1-2,18H,(H,14,16).
What are the key properties of 8-chloro-4-hydroxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione?
8-chloro-4-hydroxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione has a molecular weight of 280.59 g/mol, XLogP of 1.60, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4-hydroxy-6-(trifluoromethyl)-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 10707925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).