5,8-dibromo-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline

C22H10Br2F6N2 — CID 88981096

IUPAC5,8-dibromo-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline
SMILESFC(F)(F)c1ccc(-c2nc3c(Br)ccc(Br)c3nc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H10Br2F6N2/c23-15-9-10-16(24)20-19(15)31-17(11-1-5-13(6-2-11)21(25,26)27)18(32-20)12-3-7-14(8-4-12)22(28,29)30/h1-10H
InChIKeySHQVERUYMZPTSY-UHFFFAOYSA-N
MW576.13 g/mol
LogP8.53
Rot. Bonds2

About 5,8-dibromo-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline

5,8-dibromo-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline (PubChem CID 88981096) has the molecular formula C22H10Br2F6N2 and a molecular weight of 576.13 g/mol. Its IUPAC name is 5,8-dibromo-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline.

Molecular Properties

Compound Name5,8-dibromo-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline
PubChem CID88981096
Molecular FormulaC22H10Br2F6N2
Molecular Weight576.13 g/mol
Exact Mass573.91
IUPAC Name5,8-dibromo-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline
SMILESFC(F)(F)c1ccc(-c2nc3c(Br)ccc(Br)c3nc2-c2ccc(C(F)(F)F)cc2)cc1
InChIInChI=1S/C22H10Br2F6N2/c23-15-9-10-16(24)20-19(15)31-17(11-1-5-13(6-2-11)21(25,26)27)18(32-20)12-3-7-14(8-4-12)22(28,29)30/h1-10H
InChIKeySHQVERUYMZPTSY-UHFFFAOYSA-N
XLogP8.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500576.13
LogP ≤ 58.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,8-dibromo-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline?
The IUPAC name of 5,8-dibromo-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline (CID 88981096) is 5,8-dibromo-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline.
What is the SMILES notation for 5,8-dibromo-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline?
The canonical SMILES for 5,8-dibromo-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline is FC(F)(F)c1ccc(-c2nc3c(Br)ccc(Br)c3nc2-c2ccc(C(F)(F)F)cc2)cc1.
What is the InChIKey of 5,8-dibromo-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline?
The InChIKey is SHQVERUYMZPTSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H10Br2F6N2/c23-15-9-10-16(24)20-19(15)31-17(11-1-5-13(6-2-11)21(25,26)27)18(32-20)12-3-7-14(8-4-12)22(28,29)30/h1-10H.
What are the key properties of 5,8-dibromo-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline?
5,8-dibromo-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline has a molecular weight of 576.13 g/mol, XLogP of 8.53, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,8-dibromo-2,3-bis[4-(trifluoromethyl)phenyl]quinoxaline is sourced from PubChem (CID 88981096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).