2-(2,4,5-trifluoro-3-methoxyphenoxy)quinoxaline

C15H9F3N2O2 — CID 139233534

IUPAC2-(2,4,5-trifluoro-3-methoxyphenoxy)quinoxaline
SMILESCOc1c(F)c(F)cc(Oc2cnc3ccccc3n2)c1F
InChIInChI=1S/C15H9F3N2O2/c1-21-15-13(17)8(16)6-11(14(15)18)22-12-7-19-9-4-2-3-5-10(9)20-12/h2-7H,1H3
InChIKeyMALUZVBOFMNZMY-UHFFFAOYSA-N
MW306.24 g/mol
LogP3.85
Rot. Bonds3

About 2-(2,4,5-trifluoro-3-methoxyphenoxy)quinoxaline

2-(2,4,5-trifluoro-3-methoxyphenoxy)quinoxaline (PubChem CID 139233534) has the molecular formula C15H9F3N2O2 and a molecular weight of 306.24 g/mol. Its IUPAC name is 2-(2,4,5-trifluoro-3-methoxyphenoxy)quinoxaline.

Molecular Properties

Compound Name2-(2,4,5-trifluoro-3-methoxyphenoxy)quinoxaline
PubChem CID139233534
Molecular FormulaC15H9F3N2O2
Molecular Weight306.24 g/mol
Exact Mass306.06
IUPAC Name2-(2,4,5-trifluoro-3-methoxyphenoxy)quinoxaline
SMILESCOc1c(F)c(F)cc(Oc2cnc3ccccc3n2)c1F
InChIInChI=1S/C15H9F3N2O2/c1-21-15-13(17)8(16)6-11(14(15)18)22-12-7-19-9-4-2-3-5-10(9)20-12/h2-7H,1H3
InChIKeyMALUZVBOFMNZMY-UHFFFAOYSA-N
XLogP3.85
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.24
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,5-trifluoro-3-methoxyphenoxy)quinoxaline?
The IUPAC name of 2-(2,4,5-trifluoro-3-methoxyphenoxy)quinoxaline (CID 139233534) is 2-(2,4,5-trifluoro-3-methoxyphenoxy)quinoxaline.
What is the SMILES notation for 2-(2,4,5-trifluoro-3-methoxyphenoxy)quinoxaline?
The canonical SMILES for 2-(2,4,5-trifluoro-3-methoxyphenoxy)quinoxaline is COc1c(F)c(F)cc(Oc2cnc3ccccc3n2)c1F.
What is the InChIKey of 2-(2,4,5-trifluoro-3-methoxyphenoxy)quinoxaline?
The InChIKey is MALUZVBOFMNZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2O2/c1-21-15-13(17)8(16)6-11(14(15)18)22-12-7-19-9-4-2-3-5-10(9)20-12/h2-7H,1H3.
What are the key properties of 2-(2,4,5-trifluoro-3-methoxyphenoxy)quinoxaline?
2-(2,4,5-trifluoro-3-methoxyphenoxy)quinoxaline has a molecular weight of 306.24 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trifluoro-3-methoxyphenoxy)quinoxaline is sourced from PubChem (CID 139233534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).