2-phenyl-3-(trichloromethyl)quinoxaline

C15H9Cl3N2 — CID 90681055

IUPAC2-phenyl-3-(trichloromethyl)quinoxaline
SMILESClC(Cl)(Cl)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C15H9Cl3N2/c16-15(17,18)14-13(10-6-2-1-3-7-10)19-11-8-4-5-9-12(11)20-14/h1-9H
InChIKeyBZUUWRPATVBBLB-UHFFFAOYSA-N
MW323.61 g/mol
LogP5.12
Rot. Bonds1

About 2-phenyl-3-(trichloromethyl)quinoxaline

2-phenyl-3-(trichloromethyl)quinoxaline (PubChem CID 90681055) has the molecular formula C15H9Cl3N2 and a molecular weight of 323.61 g/mol. Its IUPAC name is 2-phenyl-3-(trichloromethyl)quinoxaline.

Molecular Properties

Compound Name2-phenyl-3-(trichloromethyl)quinoxaline
PubChem CID90681055
Molecular FormulaC15H9Cl3N2
Molecular Weight323.61 g/mol
Exact Mass321.98
IUPAC Name2-phenyl-3-(trichloromethyl)quinoxaline
SMILESClC(Cl)(Cl)c1nc2ccccc2nc1-c1ccccc1
InChIInChI=1S/C15H9Cl3N2/c16-15(17,18)14-13(10-6-2-1-3-7-10)19-11-8-4-5-9-12(11)20-14/h1-9H
InChIKeyBZUUWRPATVBBLB-UHFFFAOYSA-N
XLogP5.12
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500323.61
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

Phenazine
CID 4757
2,3-Dichloroquinoxaline
CID 16659
9-Chloro-1,2,3,4-tetrahydroacridine
CID 21495
9-Chloroacridine
CID 71013
6-(Chloromethyl)phenanthridine
CID 222275
4-Chloro-2-trichloromethylquinoline
CID 618540
1,2,3,4-Tetrahydrophenazine
CID 236273
1-Methylphenazine
CID 606676
2-(4-Methylphenyl)-3-phenylquinoxaline
CID 2295348
4-Acridinamine
CID 11353
4-Chloro-2-phenylquinoline
CID 278376
2,3-Diphenylquinoxaline
CID 74311

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-3-(trichloromethyl)quinoxaline?
The IUPAC name of 2-phenyl-3-(trichloromethyl)quinoxaline (CID 90681055) is 2-phenyl-3-(trichloromethyl)quinoxaline.
What is the SMILES notation for 2-phenyl-3-(trichloromethyl)quinoxaline?
The canonical SMILES for 2-phenyl-3-(trichloromethyl)quinoxaline is ClC(Cl)(Cl)c1nc2ccccc2nc1-c1ccccc1.
What is the InChIKey of 2-phenyl-3-(trichloromethyl)quinoxaline?
The InChIKey is BZUUWRPATVBBLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl3N2/c16-15(17,18)14-13(10-6-2-1-3-7-10)19-11-8-4-5-9-12(11)20-14/h1-9H.
What are the key properties of 2-phenyl-3-(trichloromethyl)quinoxaline?
2-phenyl-3-(trichloromethyl)quinoxaline has a molecular weight of 323.61 g/mol, XLogP of 5.12, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-3-(trichloromethyl)quinoxaline is sourced from PubChem (CID 90681055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).