2-(3-bromo-5-fluorophenoxy)quinoxaline

C14H8BrFN2O — CID 81331956

IUPAC2-(3-bromo-5-fluorophenoxy)quinoxaline
SMILESFc1cc(Br)cc(Oc2cnc3ccccc3n2)c1
InChIInChI=1S/C14H8BrFN2O/c15-9-5-10(16)7-11(6-9)19-14-8-17-12-3-1-2-4-13(12)18-14/h1-8H
InChIKeyJSXNEDOUNFCDGK-UHFFFAOYSA-N
MW319.13 g/mol
LogP4.32
Rot. Bonds2

About 2-(3-bromo-5-fluorophenoxy)quinoxaline

2-(3-bromo-5-fluorophenoxy)quinoxaline (PubChem CID 81331956) has the molecular formula C14H8BrFN2O and a molecular weight of 319.13 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)quinoxaline.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)quinoxaline
PubChem CID81331956
Molecular FormulaC14H8BrFN2O
Molecular Weight319.13 g/mol
Exact Mass317.98
IUPAC Name2-(3-bromo-5-fluorophenoxy)quinoxaline
SMILESFc1cc(Br)cc(Oc2cnc3ccccc3n2)c1
InChIInChI=1S/C14H8BrFN2O/c15-9-5-10(16)7-11(6-9)19-14-8-17-12-3-1-2-4-13(12)18-14/h1-8H
InChIKeyJSXNEDOUNFCDGK-UHFFFAOYSA-N
XLogP4.32
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.13
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-fluorophenoxy)quinoxaline?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)quinoxaline (CID 81331956) is 2-(3-bromo-5-fluorophenoxy)quinoxaline.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)quinoxaline?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)quinoxaline is Fc1cc(Br)cc(Oc2cnc3ccccc3n2)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)quinoxaline?
The InChIKey is JSXNEDOUNFCDGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrFN2O/c15-9-5-10(16)7-11(6-9)19-14-8-17-12-3-1-2-4-13(12)18-14/h1-8H.
What are the key properties of 2-(3-bromo-5-fluorophenoxy)quinoxaline?
2-(3-bromo-5-fluorophenoxy)quinoxaline has a molecular weight of 319.13 g/mol, XLogP of 4.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-fluorophenoxy)quinoxaline is sourced from PubChem (CID 81331956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).