2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline

C20H11F3N2 — CID 71729474

IUPAC2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline
SMILESFc1cc(F)c(-c2nc3ccccc3nc2-c2ccccc2)c(F)c1
InChIInChI=1S/C20H11F3N2/c21-13-10-14(22)18(15(23)11-13)20-19(12-6-2-1-3-7-12)24-16-8-4-5-9-17(16)25-20/h1-11H
InChIKeyWJMHQAVKJKBIJH-UHFFFAOYSA-N
MW336.32 g/mol
LogP5.38
Rot. Bonds2

About 2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline

2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline (PubChem CID 71729474) has the molecular formula C20H11F3N2 and a molecular weight of 336.32 g/mol. Its IUPAC name is 2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline.

Molecular Properties

Compound Name2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline
PubChem CID71729474
Molecular FormulaC20H11F3N2
Molecular Weight336.32 g/mol
Exact Mass336.09
IUPAC Name2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline
SMILESFc1cc(F)c(-c2nc3ccccc3nc2-c2ccccc2)c(F)c1
InChIInChI=1S/C20H11F3N2/c21-13-10-14(22)18(15(23)11-13)20-19(12-6-2-1-3-7-12)24-16-8-4-5-9-17(16)25-20/h1-11H
InChIKeyWJMHQAVKJKBIJH-UHFFFAOYSA-N
XLogP5.38
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.32
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline?
The IUPAC name of 2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline (CID 71729474) is 2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline.
What is the SMILES notation for 2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline?
The canonical SMILES for 2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline is Fc1cc(F)c(-c2nc3ccccc3nc2-c2ccccc2)c(F)c1.
What is the InChIKey of 2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline?
The InChIKey is WJMHQAVKJKBIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N2/c21-13-10-14(22)18(15(23)11-13)20-19(12-6-2-1-3-7-12)24-16-8-4-5-9-17(16)25-20/h1-11H.
What are the key properties of 2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline?
2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline has a molecular weight of 336.32 g/mol, XLogP of 5.38, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(2,4,6-trifluorophenyl)quinoxaline is sourced from PubChem (CID 71729474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).