2-(2-bromo-6-fluorophenoxy)-5,6-difluoro-3-methylquinoxaline

C15H8BrF3N2O — CID 129079761

IUPAC2-(2-bromo-6-fluorophenoxy)-5,6-difluoro-3-methylquinoxaline
SMILESCc1nc2c(F)c(F)ccc2nc1Oc1c(F)cccc1Br
InChIInChI=1S/C15H8BrF3N2O/c1-7-15(22-14-8(16)3-2-4-10(14)18)21-11-6-5-9(17)12(19)13(11)20-7/h2-6H,1H3
InChIKeyBPGASDBUDQTKDD-UHFFFAOYSA-N
MW369.14 g/mol
LogP4.91
Rot. Bonds2

About 2-(2-bromo-6-fluorophenoxy)-5,6-difluoro-3-methylquinoxaline

2-(2-bromo-6-fluorophenoxy)-5,6-difluoro-3-methylquinoxaline (PubChem CID 129079761) has the molecular formula C15H8BrF3N2O and a molecular weight of 369.14 g/mol. Its IUPAC name is 2-(2-bromo-6-fluorophenoxy)-5,6-difluoro-3-methylquinoxaline.

Molecular Properties

Compound Name2-(2-bromo-6-fluorophenoxy)-5,6-difluoro-3-methylquinoxaline
PubChem CID129079761
Molecular FormulaC15H8BrF3N2O
Molecular Weight369.14 g/mol
Exact Mass367.98
IUPAC Name2-(2-bromo-6-fluorophenoxy)-5,6-difluoro-3-methylquinoxaline
SMILESCc1nc2c(F)c(F)ccc2nc1Oc1c(F)cccc1Br
InChIInChI=1S/C15H8BrF3N2O/c1-7-15(22-14-8(16)3-2-4-10(14)18)21-11-6-5-9(17)12(19)13(11)20-7/h2-6H,1H3
InChIKeyBPGASDBUDQTKDD-UHFFFAOYSA-N
XLogP4.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.14
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-bromo-6-fluorophenoxy)-5,6-difluoro-3-methylquinoxaline 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 2-(2-bromo-6-fluorophenoxy)-5,6-difluoro-3-methylquinoxaline?
The IUPAC name of 2-(2-bromo-6-fluorophenoxy)-5,6-difluoro-3-methylquinoxaline (CID 129079761) is 2-(2-bromo-6-fluorophenoxy)-5,6-difluoro-3-methylquinoxaline.
What is the SMILES notation for 2-(2-bromo-6-fluorophenoxy)-5,6-difluoro-3-methylquinoxaline?
The canonical SMILES for 2-(2-bromo-6-fluorophenoxy)-5,6-difluoro-3-methylquinoxaline is Cc1nc2c(F)c(F)ccc2nc1Oc1c(F)cccc1Br.
What is the InChIKey of 2-(2-bromo-6-fluorophenoxy)-5,6-difluoro-3-methylquinoxaline?
The InChIKey is BPGASDBUDQTKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrF3N2O/c1-7-15(22-14-8(16)3-2-4-10(14)18)21-11-6-5-9(17)12(19)13(11)20-7/h2-6H,1H3.
What are the key properties of 2-(2-bromo-6-fluorophenoxy)-5,6-difluoro-3-methylquinoxaline?
2-(2-bromo-6-fluorophenoxy)-5,6-difluoro-3-methylquinoxaline has a molecular weight of 369.14 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-6-fluorophenoxy)-5,6-difluoro-3-methylquinoxaline is sourced from PubChem (CID 129079761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).