5-tert-butyl-3-ethyl-2-(trifluoromethyl)quinoxaline;ethane

C17H23F3N2 — CID 142320358

IUPAC5-tert-butyl-3-ethyl-2-(trifluoromethyl)quinoxaline;ethane
SMILESCC.CCc1nc2c(C(C)(C)C)cccc2nc1C(F)(F)F
InChIInChI=1S/C15H17F3N2.C2H6/c1-5-10-13(15(16,17)18)20-11-8-6-7-9(12(11)19-10)14(2,3)4;1-2/h6-8H,5H2,1-4H3;1-2H3
InChIKeyVEUKPFWSJXUOQR-UHFFFAOYSA-N
MW312.38 g/mol
LogP5.53
Rot. Bonds1

About 5-tert-butyl-3-ethyl-2-(trifluoromethyl)quinoxaline;ethane

5-tert-butyl-3-ethyl-2-(trifluoromethyl)quinoxaline;ethane (PubChem CID 142320358) has the molecular formula C17H23F3N2 and a molecular weight of 312.38 g/mol. Its IUPAC name is 5-tert-butyl-3-ethyl-2-(trifluoromethyl)quinoxaline;ethane.

Molecular Properties

Compound Name5-tert-butyl-3-ethyl-2-(trifluoromethyl)quinoxaline;ethane
PubChem CID142320358
Molecular FormulaC17H23F3N2
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name5-tert-butyl-3-ethyl-2-(trifluoromethyl)quinoxaline;ethane
SMILESCC.CCc1nc2c(C(C)(C)C)cccc2nc1C(F)(F)F
InChIInChI=1S/C15H17F3N2.C2H6/c1-5-10-13(15(16,17)18)20-11-8-6-7-9(12(11)19-10)14(2,3)4;1-2/h6-8H,5H2,1-4H3;1-2H3
InChIKeyVEUKPFWSJXUOQR-UHFFFAOYSA-N
XLogP5.53
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500312.38
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-Methylquinoxaline
CID 61670
2,9-Dimethyl-1,10-phenanthroline
CID 65237
Bathocuproine
CID 65149
2,4-Dimethylquinoline
CID 14536
2-Methyl-8-aminoquinoline
CID 140457
2,7-Dimethylquinoline
CID 7138
1-Methylphenazine
CID 606676
2-(4-Methylphenyl)-3-phenylquinoxaline
CID 2295348
4-Acridinamine
CID 11353
2,3-Diphenylquinoxaline
CID 74311
2,3,6,7-Tetramethylquinoxaline
CID 248749
3-Ethyl-2-propylquinoline
CID 76791

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-ethyl-2-(trifluoromethyl)quinoxaline;ethane?
The IUPAC name of 5-tert-butyl-3-ethyl-2-(trifluoromethyl)quinoxaline;ethane (CID 142320358) is 5-tert-butyl-3-ethyl-2-(trifluoromethyl)quinoxaline;ethane.
What is the SMILES notation for 5-tert-butyl-3-ethyl-2-(trifluoromethyl)quinoxaline;ethane?
The canonical SMILES for 5-tert-butyl-3-ethyl-2-(trifluoromethyl)quinoxaline;ethane is CC.CCc1nc2c(C(C)(C)C)cccc2nc1C(F)(F)F.
What is the InChIKey of 5-tert-butyl-3-ethyl-2-(trifluoromethyl)quinoxaline;ethane?
The InChIKey is VEUKPFWSJXUOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2.C2H6/c1-5-10-13(15(16,17)18)20-11-8-6-7-9(12(11)19-10)14(2,3)4;1-2/h6-8H,5H2,1-4H3;1-2H3.
What are the key properties of 5-tert-butyl-3-ethyl-2-(trifluoromethyl)quinoxaline;ethane?
5-tert-butyl-3-ethyl-2-(trifluoromethyl)quinoxaline;ethane has a molecular weight of 312.38 g/mol, XLogP of 5.53, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-ethyl-2-(trifluoromethyl)quinoxaline;ethane is sourced from PubChem (CID 142320358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).