5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline

C15H7Br2F3N2 — CID 2799149

IUPAC5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1cc(Br)c2ncc(-c3ccc(Br)cc3)nc2c1
InChIInChI=1S/C15H7Br2F3N2/c16-10-3-1-8(2-4-10)13-7-21-14-11(17)5-9(15(18,19)20)6-12(14)22-13/h1-7H
InChIKeyXNDTWGNUQVVJCC-UHFFFAOYSA-N
MW432.04 g/mol
LogP5.84
Rot. Bonds1

About 5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline

5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline (PubChem CID 2799149) has the molecular formula C15H7Br2F3N2 and a molecular weight of 432.04 g/mol. Its IUPAC name is 5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline
PubChem CID2799149
Molecular FormulaC15H7Br2F3N2
Molecular Weight432.04 g/mol
Exact Mass429.89
IUPAC Name5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1cc(Br)c2ncc(-c3ccc(Br)cc3)nc2c1
InChIInChI=1S/C15H7Br2F3N2/c16-10-3-1-8(2-4-10)13-7-21-14-11(17)5-9(15(18,19)20)6-12(14)22-13/h1-7H
InChIKeyXNDTWGNUQVVJCC-UHFFFAOYSA-N
XLogP5.84
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.04
LogP ≤ 55.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

8-bromo-3-(trifluoromethyl)-1,5-naphthyridine
CID 15654587
2-(4-bromophenyl)pyrido[2,3-b]pyrazine
CID 5302464
7,10-diphenyl-3-[4-(trifluoromethyl)phenyl]phenanthro[9,10-b]pyrazine
CID 58224563
6-bromo-4-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]quinoline
CID 164676600
8-bromo-6-(trifluoromethyl)quinazoline
CID 171373809
2-bromo-4-(trifluoromethyl)-6-[4-(trifluoromethyl)phenyl]pyridine
CID 57468624
6-bromo-3-(trifluoromethyl)quinoline
CID 150537973
4-(4-bromophenyl)-2-(trifluoromethyl)pyrimidine
CID 116903672
2,6-bis[4-(trifluoromethyl)phenyl]pyrazine
CID 44532794
2-(4-bromophenyl)-6-(trifluoromethyl)imidazo[1,2-a]pyridine;hydrobromide
CID 67122886
4-(4-bromophenyl)-2-methyl-6-(trifluoromethyl)pyrimidine
CID 91926144
2-[3,5-bis(trifluoromethyl)phenyl]-6-bromo-1,3-benzoxazole
CID 23025660

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline?
The IUPAC name of 5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline (CID 2799149) is 5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline?
The canonical SMILES for 5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline is FC(F)(F)c1cc(Br)c2ncc(-c3ccc(Br)cc3)nc2c1.
What is the InChIKey of 5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline?
The InChIKey is XNDTWGNUQVVJCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7Br2F3N2/c16-10-3-1-8(2-4-10)13-7-21-14-11(17)5-9(15(18,19)20)6-12(14)22-13/h1-7H.
What are the key properties of 5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline?
5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline has a molecular weight of 432.04 g/mol, XLogP of 5.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4-bromophenyl)-7-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 2799149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).