5,8-dibromo-6,7-difluoro-2,3-bis(4-fluorophenyl)quinoxaline

C20H8Br2F4N2 — CID 89398324

IUPAC5,8-dibromo-6,7-difluoro-2,3-bis(4-fluorophenyl)quinoxaline
SMILESFc1ccc(-c2nc3c(Br)c(F)c(F)c(Br)c3nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H8Br2F4N2/c21-13-15(25)16(26)14(22)20-19(13)27-17(9-1-5-11(23)6-2-9)18(28-20)10-3-7-12(24)8-4-10/h1-8H
InChIKeyDYAKZMMNKZMKPA-UHFFFAOYSA-N
MW512.10 g/mol
LogP7.05
Rot. Bonds2

About 5,8-dibromo-6,7-difluoro-2,3-bis(4-fluorophenyl)quinoxaline

5,8-dibromo-6,7-difluoro-2,3-bis(4-fluorophenyl)quinoxaline (PubChem CID 89398324) has the molecular formula C20H8Br2F4N2 and a molecular weight of 512.10 g/mol. Its IUPAC name is 5,8-dibromo-6,7-difluoro-2,3-bis(4-fluorophenyl)quinoxaline.

Molecular Properties

Compound Name5,8-dibromo-6,7-difluoro-2,3-bis(4-fluorophenyl)quinoxaline
PubChem CID89398324
Molecular FormulaC20H8Br2F4N2
Molecular Weight512.10 g/mol
Exact Mass509.90
IUPAC Name5,8-dibromo-6,7-difluoro-2,3-bis(4-fluorophenyl)quinoxaline
SMILESFc1ccc(-c2nc3c(Br)c(F)c(F)c(Br)c3nc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C20H8Br2F4N2/c21-13-15(25)16(26)14(22)20-19(13)27-17(9-1-5-11(23)6-2-9)18(28-20)10-3-7-12(24)8-4-10/h1-8H
InChIKeyDYAKZMMNKZMKPA-UHFFFAOYSA-N
XLogP7.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.10
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Analyze 5,8-dibromo-6,7-difluoro-2,3-bis(4-fluorophenyl)quinoxaline with MolForge

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

Launch Full Analysis

Related Compounds

5,8-Dibromo-2,3-diphenylquinoxaline
CID 22475901
2,3-Bis(4-fluorophenyl)quinoxaline
CID 2260050
6-Fluoro-2,3-diphenylquinoxaline
CID 3700648
2,3-Bis(4-bromophenyl)quinoxaline
CID 554977
2-(4-Bromophenyl)-3-phenylquinoxaline
CID 1849790
6-Bromo-2,3-diphenylquinoxaline
CID 6617543
2-Phenyl-3-(2,4,6-trifluorophenyl)quinoxaline
CID 71729474
6-Bromo-3-methyl-2-phenylquinoxaline
CID 71589169
2-(4-Bromophenyl)-3-methylquinoxaline
CID 14302203
10,13-Dibromodibenzo[a,c]phenazine
CID 58895057
2-(4-Fluorophenyl)-3-phenylquinoxaline
CID 3090028
6-Fluoro-2,3-bis(4-fluorophenyl)quinoxaline
CID 3700646

Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-6,7-difluoro-2,3-bis(4-fluorophenyl)quinoxaline?
The IUPAC name of 5,8-dibromo-6,7-difluoro-2,3-bis(4-fluorophenyl)quinoxaline (CID 89398324) is 5,8-dibromo-6,7-difluoro-2,3-bis(4-fluorophenyl)quinoxaline.
What is the SMILES notation for 5,8-dibromo-6,7-difluoro-2,3-bis(4-fluorophenyl)quinoxaline?
The canonical SMILES for 5,8-dibromo-6,7-difluoro-2,3-bis(4-fluorophenyl)quinoxaline is Fc1ccc(-c2nc3c(Br)c(F)c(F)c(Br)c3nc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 5,8-dibromo-6,7-difluoro-2,3-bis(4-fluorophenyl)quinoxaline?
The InChIKey is DYAKZMMNKZMKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H8Br2F4N2/c21-13-15(25)16(26)14(22)20-19(13)27-17(9-1-5-11(23)6-2-9)18(28-20)10-3-7-12(24)8-4-10/h1-8H.
What are the key properties of 5,8-dibromo-6,7-difluoro-2,3-bis(4-fluorophenyl)quinoxaline?
5,8-dibromo-6,7-difluoro-2,3-bis(4-fluorophenyl)quinoxaline has a molecular weight of 512.10 g/mol, XLogP of 7.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-6,7-difluoro-2,3-bis(4-fluorophenyl)quinoxaline is sourced from PubChem (CID 89398324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).