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

C15H10BrFN2O — CID 81331468

IUPAC2-(3-bromo-5-fluorophenoxy)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C15H10BrFN2O/c1-9-15(19-14-5-3-2-4-13(14)18-9)20-12-7-10(16)6-11(17)8-12/h2-8H,1H3
InChIKeyUUZXYHIOHGJLOS-UHFFFAOYSA-N
MW333.16 g/mol
LogP4.63
Rot. Bonds2

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

2-(3-bromo-5-fluorophenoxy)-3-methylquinoxaline (PubChem CID 81331468) has the molecular formula C15H10BrFN2O and a molecular weight of 333.16 g/mol. Its IUPAC name is 2-(3-bromo-5-fluorophenoxy)-3-methylquinoxaline.

Molecular Properties

Compound Name2-(3-bromo-5-fluorophenoxy)-3-methylquinoxaline
PubChem CID81331468
Molecular FormulaC15H10BrFN2O
Molecular Weight333.16 g/mol
Exact Mass332.00
IUPAC Name2-(3-bromo-5-fluorophenoxy)-3-methylquinoxaline
SMILESCc1nc2ccccc2nc1Oc1cc(F)cc(Br)c1
InChIInChI=1S/C15H10BrFN2O/c1-9-15(19-14-5-3-2-4-13(14)18-9)20-12-7-10(16)6-11(17)8-12/h2-8H,1H3
InChIKeyUUZXYHIOHGJLOS-UHFFFAOYSA-N
XLogP4.63
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.16
LogP ≤ 54.63
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)-3-methylquinoxaline?
The IUPAC name of 2-(3-bromo-5-fluorophenoxy)-3-methylquinoxaline (CID 81331468) is 2-(3-bromo-5-fluorophenoxy)-3-methylquinoxaline.
What is the SMILES notation for 2-(3-bromo-5-fluorophenoxy)-3-methylquinoxaline?
The canonical SMILES for 2-(3-bromo-5-fluorophenoxy)-3-methylquinoxaline is Cc1nc2ccccc2nc1Oc1cc(F)cc(Br)c1.
What is the InChIKey of 2-(3-bromo-5-fluorophenoxy)-3-methylquinoxaline?
The InChIKey is UUZXYHIOHGJLOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrFN2O/c1-9-15(19-14-5-3-2-4-13(14)18-9)20-12-7-10(16)6-11(17)8-12/h2-8H,1H3.
What are the key properties of 2-(3-bromo-5-fluorophenoxy)-3-methylquinoxaline?
2-(3-bromo-5-fluorophenoxy)-3-methylquinoxaline has a molecular weight of 333.16 g/mol, XLogP of 4.63, 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)-3-methylquinoxaline is sourced from PubChem (CID 81331468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).