2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxaline

C21H13F3N2 — CID 22330934

IUPAC2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxaline
SMILESFC(F)(F)c1cccc(-c2nc3ccccc3nc2-c2ccccc2)c1
InChIInChI=1S/C21H13F3N2/c22-21(23,24)16-10-6-9-15(13-16)20-19(14-7-2-1-3-8-14)25-17-11-4-5-12-18(17)26-20/h1-13H
InChIKeyPHSNHDBCKRYZPK-UHFFFAOYSA-N
MW350.34 g/mol
LogP5.98
Rot. Bonds2

About 2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxaline

2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxaline (PubChem CID 22330934) has the molecular formula C21H13F3N2 and a molecular weight of 350.34 g/mol. Its IUPAC name is 2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxaline.

Molecular Properties

Compound Name2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxaline
PubChem CID22330934
Molecular FormulaC21H13F3N2
Molecular Weight350.34 g/mol
Exact Mass350.10
IUPAC Name2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxaline
SMILESFC(F)(F)c1cccc(-c2nc3ccccc3nc2-c2ccccc2)c1
InChIInChI=1S/C21H13F3N2/c22-21(23,24)16-10-6-9-15(13-16)20-19(14-7-2-1-3-8-14)25-17-11-4-5-12-18(17)26-20/h1-13H
InChIKeyPHSNHDBCKRYZPK-UHFFFAOYSA-N
XLogP5.98
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.34
LogP ≤ 55.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxaline?
The IUPAC name of 2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxaline (CID 22330934) is 2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxaline.
What is the SMILES notation for 2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxaline?
The canonical SMILES for 2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxaline is FC(F)(F)c1cccc(-c2nc3ccccc3nc2-c2ccccc2)c1.
What is the InChIKey of 2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxaline?
The InChIKey is PHSNHDBCKRYZPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2/c22-21(23,24)16-10-6-9-15(13-16)20-19(14-7-2-1-3-8-14)25-17-11-4-5-12-18(17)26-20/h1-13H.
What are the key properties of 2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxaline?
2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxaline has a molecular weight of 350.34 g/mol, XLogP of 5.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-[3-(trifluoromethyl)phenyl]quinoxaline is sourced from PubChem (CID 22330934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).