3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine

C15H10F3N3 — CID 91442502

IUPAC3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
SMILESNc1nc2ccccc2nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F3N3/c16-15(17,18)10-7-5-9(6-8-10)13-14(19)21-12-4-2-1-3-11(12)20-13/h1-8H,(H2,19,21)
InChIKeyBSWDYSPMBBHKNT-UHFFFAOYSA-N
MW289.26 g/mol
LogP3.90
Rot. Bonds1

About 3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine

3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine (PubChem CID 91442502) has the molecular formula C15H10F3N3 and a molecular weight of 289.26 g/mol. Its IUPAC name is 3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine.

Molecular Properties

Compound Name3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
PubChem CID91442502
Molecular FormulaC15H10F3N3
Molecular Weight289.26 g/mol
Exact Mass289.08
IUPAC Name3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine
SMILESNc1nc2ccccc2nc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H10F3N3/c16-15(17,18)10-7-5-9(6-8-10)13-14(19)21-12-4-2-1-3-11(12)20-13/h1-8H,(H2,19,21)
InChIKeyBSWDYSPMBBHKNT-UHFFFAOYSA-N
XLogP3.90
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.26
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-Aminoquinoline
CID 11379
Quinoxaline-2,3-diamine
CID 241488
2-(4-Methylphenyl)-3-phenylquinoxaline
CID 2295348
6-Aminophenanthridine
CID 160547
2,3-Diphenylquinoxaline
CID 74311
2-Benzyl-3-hydrazinoquinoxaline
CID 488815
2-[4-(3-Phenylquinoxalin-2-yl)phenyl]propan-2-amine
CID 9819282
7-{[(3-Fluorophenyl)amino]methyl}quinolin-2-Amine
CID 118266141
2-Methyl-3-phenylquinoxaline
CID 346903
2,9-Diamino-1,10-phenanthroline
CID 355198
2,3-Quinoxalinediamine, N,N'-bis[3-(trifluoromethyl)phenyl]-
CID 468692
7-Methyl-3-(3-methylphenyl)isoquinolin-1-amine
CID 24956687

Frequently Asked Questions

What is the IUPAC name of 3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine?
The IUPAC name of 3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine (CID 91442502) is 3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine.
What is the SMILES notation for 3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine?
The canonical SMILES for 3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine is Nc1nc2ccccc2nc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine?
The InChIKey is BSWDYSPMBBHKNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N3/c16-15(17,18)10-7-5-9(6-8-10)13-14(19)21-12-4-2-1-3-11(12)20-13/h1-8H,(H2,19,21).
What are the key properties of 3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine?
3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine has a molecular weight of 289.26 g/mol, XLogP of 3.90, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(trifluoromethyl)phenyl]quinoxalin-2-amine is sourced from PubChem (CID 91442502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).