4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione

C10H4F6N2O3 — CID 19990430

IUPAC4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2n(O)c1=O
InChIInChI=1S/C10H4F6N2O3/c11-9(12,13)3-1-4(10(14,15)16)6-5(2-3)17-7(19)8(20)18(6)21/h1-2,21H,(H,17,19)
InChIKeyJORONMAUWOHCBV-UHFFFAOYSA-N
MW314.14 g/mol
LogP1.96
Rot. Bonds

About 4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione

4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione (PubChem CID 19990430) has the molecular formula C10H4F6N2O3 and a molecular weight of 314.14 g/mol. Its IUPAC name is 4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione.

Molecular Properties

Compound Name4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione
PubChem CID19990430
Molecular FormulaC10H4F6N2O3
Molecular Weight314.14 g/mol
Exact Mass314.01
IUPAC Name4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione
SMILESO=c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2n(O)c1=O
InChIInChI=1S/C10H4F6N2O3/c11-9(12,13)3-1-4(10(14,15)16)6-5(2-3)17-7(19)8(20)18(6)21/h1-2,21H,(H,17,19)
InChIKeyJORONMAUWOHCBV-UHFFFAOYSA-N
XLogP1.96
TPSA75.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.14
LogP ≤ 51.96
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 4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The IUPAC name of 4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione (CID 19990430) is 4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione.
What is the SMILES notation for 4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The canonical SMILES for 4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione is O=c1[nH]c2cc(C(F)(F)F)cc(C(F)(F)F)c2n(O)c1=O.
What is the InChIKey of 4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione?
The InChIKey is JORONMAUWOHCBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F6N2O3/c11-9(12,13)3-1-4(10(14,15)16)6-5(2-3)17-7(19)8(20)18(6)21/h1-2,21H,(H,17,19).
What are the key properties of 4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione?
4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione has a molecular weight of 314.14 g/mol, XLogP of 1.96, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5,7-bis(trifluoromethyl)-1H-quinoxaline-2,3-dione is sourced from PubChem (CID 19990430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).