2-methyl-3-[4-(trifluoromethyl)phenyl]quinoxaline

C16H11F3N2 — CID 58090543

IUPAC2-methyl-3-[4-(trifluoromethyl)phenyl]quinoxaline
SMILESCc1nc2ccccc2nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2/c1-10-15(21-14-5-3-2-4-13(14)20-10)11-6-8-12(9-7-11)16(17,18)19/h2-9H,1H3
InChIKeySWWPHTMLOAXOSH-UHFFFAOYSA-N
MW288.27 g/mol
LogP4.62
Rot. Bonds1

About 2-methyl-3-[4-(trifluoromethyl)phenyl]quinoxaline

2-methyl-3-[4-(trifluoromethyl)phenyl]quinoxaline (PubChem CID 58090543) has the molecular formula C16H11F3N2 and a molecular weight of 288.27 g/mol. Its IUPAC name is 2-methyl-3-[4-(trifluoromethyl)phenyl]quinoxaline.

Molecular Properties

Compound Name2-methyl-3-[4-(trifluoromethyl)phenyl]quinoxaline
PubChem CID58090543
Molecular FormulaC16H11F3N2
Molecular Weight288.27 g/mol
Exact Mass288.09
IUPAC Name2-methyl-3-[4-(trifluoromethyl)phenyl]quinoxaline
SMILESCc1nc2ccccc2nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C16H11F3N2/c1-10-15(21-14-5-3-2-4-13(14)20-10)11-6-8-12(9-7-11)16(17,18)19/h2-9H,1H3
InChIKeySWWPHTMLOAXOSH-UHFFFAOYSA-N
XLogP4.62
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.27
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

Phenazine
CID 4757
2,9-Dimethyl-1,10-phenanthroline
CID 65237
Bathocuproine
CID 65149
2-Phenylquinoline
CID 71545
2,3-Dimethylquinoxaline
CID 16925
2-Methyl-8-aminoquinoline
CID 140457
9-Methylacridine
CID 11913
(E)-2-Styrylquinoline
CID 5357469
1,2,3,4-Tetrahydrophenazine
CID 236273
2,2'-Biquinoline
CID 8412
1-Methylphenazine
CID 606676
2-(4-Methylphenyl)-3-phenylquinoxaline
CID 2295348

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-(trifluoromethyl)phenyl]quinoxaline?
The IUPAC name of 2-methyl-3-[4-(trifluoromethyl)phenyl]quinoxaline (CID 58090543) is 2-methyl-3-[4-(trifluoromethyl)phenyl]quinoxaline.
What is the SMILES notation for 2-methyl-3-[4-(trifluoromethyl)phenyl]quinoxaline?
The canonical SMILES for 2-methyl-3-[4-(trifluoromethyl)phenyl]quinoxaline is Cc1nc2ccccc2nc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-methyl-3-[4-(trifluoromethyl)phenyl]quinoxaline?
The InChIKey is SWWPHTMLOAXOSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N2/c1-10-15(21-14-5-3-2-4-13(14)20-10)11-6-8-12(9-7-11)16(17,18)19/h2-9H,1H3.
What are the key properties of 2-methyl-3-[4-(trifluoromethyl)phenyl]quinoxaline?
2-methyl-3-[4-(trifluoromethyl)phenyl]quinoxaline has a molecular weight of 288.27 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-(trifluoromethyl)phenyl]quinoxaline is sourced from PubChem (CID 58090543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).