5-bromo-7-(trifluoromethoxy)quinoxaline

C9H4BrF3N2O — CID 154728189

IUPAC5-bromo-7-(trifluoromethoxy)quinoxaline
SMILESFC(F)(F)Oc1cc(Br)c2nccnc2c1
InChIInChI=1S/C9H4BrF3N2O/c10-6-3-5(16-9(11,12)13)4-7-8(6)15-2-1-14-7/h1-4H
InChIKeyWQIRQHPVFPXZCU-UHFFFAOYSA-N
MW293.04 g/mol
LogP3.29
Rot. Bonds1

About 5-bromo-7-(trifluoromethoxy)quinoxaline

5-bromo-7-(trifluoromethoxy)quinoxaline (PubChem CID 154728189) has the molecular formula C9H4BrF3N2O and a molecular weight of 293.04 g/mol. Its IUPAC name is 5-bromo-7-(trifluoromethoxy)quinoxaline.

Molecular Properties

Compound Name5-bromo-7-(trifluoromethoxy)quinoxaline
PubChem CID154728189
Molecular FormulaC9H4BrF3N2O
Molecular Weight293.04 g/mol
Exact Mass291.95
IUPAC Name5-bromo-7-(trifluoromethoxy)quinoxaline
SMILESFC(F)(F)Oc1cc(Br)c2nccnc2c1
InChIInChI=1S/C9H4BrF3N2O/c10-6-3-5(16-9(11,12)13)4-7-8(6)15-2-1-14-7/h1-4H
InChIKeyWQIRQHPVFPXZCU-UHFFFAOYSA-N
XLogP3.29
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.04
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-7-(trifluoromethoxy)quinoxaline?
The IUPAC name of 5-bromo-7-(trifluoromethoxy)quinoxaline (CID 154728189) is 5-bromo-7-(trifluoromethoxy)quinoxaline.
What is the SMILES notation for 5-bromo-7-(trifluoromethoxy)quinoxaline?
The canonical SMILES for 5-bromo-7-(trifluoromethoxy)quinoxaline is FC(F)(F)Oc1cc(Br)c2nccnc2c1.
What is the InChIKey of 5-bromo-7-(trifluoromethoxy)quinoxaline?
The InChIKey is WQIRQHPVFPXZCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4BrF3N2O/c10-6-3-5(16-9(11,12)13)4-7-8(6)15-2-1-14-7/h1-4H.
What are the key properties of 5-bromo-7-(trifluoromethoxy)quinoxaline?
5-bromo-7-(trifluoromethoxy)quinoxaline has a molecular weight of 293.04 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-7-(trifluoromethoxy)quinoxaline is sourced from PubChem (CID 154728189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).