2-(4-chlorophenoxy)-3-(trifluoromethyl)quinoxaline

C15H8ClF3N2O — CID 1487277

IUPAC2-(4-chlorophenoxy)-3-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1nc2ccccc2nc1Oc1ccc(Cl)cc1
InChIInChI=1S/C15H8ClF3N2O/c16-9-5-7-10(8-6-9)22-14-13(15(17,18)19)20-11-3-1-2-4-12(11)21-14/h1-8H
InChIKeyNOYOGEDNECQGEX-UHFFFAOYSA-N
MW324.69 g/mol
LogP5.09
Rot. Bonds2

About 2-(4-chlorophenoxy)-3-(trifluoromethyl)quinoxaline

2-(4-chlorophenoxy)-3-(trifluoromethyl)quinoxaline (PubChem CID 1487277) has the molecular formula C15H8ClF3N2O and a molecular weight of 324.69 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-3-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-3-(trifluoromethyl)quinoxaline
PubChem CID1487277
Molecular FormulaC15H8ClF3N2O
Molecular Weight324.69 g/mol
Exact Mass324.03
IUPAC Name2-(4-chlorophenoxy)-3-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1nc2ccccc2nc1Oc1ccc(Cl)cc1
InChIInChI=1S/C15H8ClF3N2O/c16-9-5-7-10(8-6-9)22-14-13(15(17,18)19)20-11-3-1-2-4-12(11)21-14/h1-8H
InChIKeyNOYOGEDNECQGEX-UHFFFAOYSA-N
XLogP5.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500324.69
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-3-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-(4-chlorophenoxy)-3-(trifluoromethyl)quinoxaline (CID 1487277) is 2-(4-chlorophenoxy)-3-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-(4-chlorophenoxy)-3-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-(4-chlorophenoxy)-3-(trifluoromethyl)quinoxaline is FC(F)(F)c1nc2ccccc2nc1Oc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenoxy)-3-(trifluoromethyl)quinoxaline?
The InChIKey is NOYOGEDNECQGEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8ClF3N2O/c16-9-5-7-10(8-6-9)22-14-13(15(17,18)19)20-11-3-1-2-4-12(11)21-14/h1-8H.
What are the key properties of 2-(4-chlorophenoxy)-3-(trifluoromethyl)quinoxaline?
2-(4-chlorophenoxy)-3-(trifluoromethyl)quinoxaline has a molecular weight of 324.69 g/mol, XLogP of 5.09, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-3-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 1487277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).