2,3,6-trimethyl-7-(trifluoromethyl)quinoxaline

C12H11F3N2 — CID 59874501

IUPAC2,3,6-trimethyl-7-(trifluoromethyl)quinoxaline
SMILESCc1cc2nc(C)c(C)nc2cc1C(F)(F)F
InChIInChI=1S/C12H11F3N2/c1-6-4-10-11(5-9(6)12(13,14)15)17-8(3)7(2)16-10/h4-5H,1-3H3
InChIKeyNAQCEGLYKBPKQV-UHFFFAOYSA-N
MW240.23 g/mol
LogP3.57
Rot. Bonds

About 2,3,6-trimethyl-7-(trifluoromethyl)quinoxaline

2,3,6-trimethyl-7-(trifluoromethyl)quinoxaline (PubChem CID 59874501) has the molecular formula C12H11F3N2 and a molecular weight of 240.23 g/mol. Its IUPAC name is 2,3,6-trimethyl-7-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2,3,6-trimethyl-7-(trifluoromethyl)quinoxaline
PubChem CID59874501
Molecular FormulaC12H11F3N2
Molecular Weight240.23 g/mol
Exact Mass240.09
IUPAC Name2,3,6-trimethyl-7-(trifluoromethyl)quinoxaline
SMILESCc1cc2nc(C)c(C)nc2cc1C(F)(F)F
InChIInChI=1S/C12H11F3N2/c1-6-4-10-11(5-9(6)12(13,14)15)17-8(3)7(2)16-10/h4-5H,1-3H3
InChIKeyNAQCEGLYKBPKQV-UHFFFAOYSA-N
XLogP3.57
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.23
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,6-trimethyl-7-(trifluoromethyl)quinoxaline?
The IUPAC name of 2,3,6-trimethyl-7-(trifluoromethyl)quinoxaline (CID 59874501) is 2,3,6-trimethyl-7-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2,3,6-trimethyl-7-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2,3,6-trimethyl-7-(trifluoromethyl)quinoxaline is Cc1cc2nc(C)c(C)nc2cc1C(F)(F)F.
What is the InChIKey of 2,3,6-trimethyl-7-(trifluoromethyl)quinoxaline?
The InChIKey is NAQCEGLYKBPKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2/c1-6-4-10-11(5-9(6)12(13,14)15)17-8(3)7(2)16-10/h4-5H,1-3H3.
What are the key properties of 2,3,6-trimethyl-7-(trifluoromethyl)quinoxaline?
2,3,6-trimethyl-7-(trifluoromethyl)quinoxaline has a molecular weight of 240.23 g/mol, XLogP of 3.57, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,6-trimethyl-7-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 59874501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).