3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine

C13H8F3N3S — CID 10880955

IUPAC3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine
SMILESNc1nc2ccc(C(F)(F)F)cc2nc1-c1cccs1
InChIInChI=1S/C13H8F3N3S/c14-13(15,16)7-3-4-8-9(6-7)18-11(12(17)19-8)10-2-1-5-20-10/h1-6H,(H2,17,19)
InChIKeyFJJHGASKNQGXFG-UHFFFAOYSA-N
MW295.29 g/mol
LogP3.96
Rot. Bonds1

About 3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine

3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine (PubChem CID 10880955) has the molecular formula C13H8F3N3S and a molecular weight of 295.29 g/mol. Its IUPAC name is 3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine.

Molecular Properties

Compound Name3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine
PubChem CID10880955
Molecular FormulaC13H8F3N3S
Molecular Weight295.29 g/mol
Exact Mass295.04
IUPAC Name3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine
SMILESNc1nc2ccc(C(F)(F)F)cc2nc1-c1cccs1
InChIInChI=1S/C13H8F3N3S/c14-13(15,16)7-3-4-8-9(6-7)18-11(12(17)19-8)10-2-1-5-20-10/h1-6H,(H2,17,19)
InChIKeyFJJHGASKNQGXFG-UHFFFAOYSA-N
XLogP3.96
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
CID 91442502
2,3-dithiophen-2-ylquinoxalin-6-ol
CID 142989779
6-bromo-2,3-dithiophen-2-ylquinoxaline
CID 130199488
7-(trifluoromethyl)quinoxalin-2-amine
CID 21313066
4-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine
CID 62501709
1-ethyl-2-thiophen-2-yl-5-(trifluoromethyl)benzimidazole
CID 46310424
1-(1-thiophen-2-ylethyl)-5-(trifluoromethyl)benzimidazol-2-amine
CID 115502017
5-[3-methyl-7-(trifluoromethyl)quinoxalin-2-yl]-1H-pyrazol-3-amine
CID 67411417
5-(4-aminophenyl)-3-thiophen-2-ylquinoxalin-2-amine
CID 154230591
2-[5-(trifluoromethyl)-1,3-benzothiazol-2-yl]thiophen-3-amine
CID 43134920
3-bromo-6-(trifluoromethyl)quinolin-2-amine
CID 97181843
2-[(2-methylpropan-2-yl)oxy]-3-thiophen-2-ylquinoxaline
CID 58801159

Frequently Asked Questions

What is the IUPAC name of 3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine?
The IUPAC name of 3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine (CID 10880955) is 3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine.
What is the SMILES notation for 3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine?
The canonical SMILES for 3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine is Nc1nc2ccc(C(F)(F)F)cc2nc1-c1cccs1.
What is the InChIKey of 3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine?
The InChIKey is FJJHGASKNQGXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3S/c14-13(15,16)7-3-4-8-9(6-7)18-11(12(17)19-8)10-2-1-5-20-10/h1-6H,(H2,17,19).
What are the key properties of 3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine?
3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine has a molecular weight of 295.29 g/mol, XLogP of 3.96, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-thiophen-2-yl-6-(trifluoromethyl)quinoxalin-2-amine is sourced from PubChem (CID 10880955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).