2-(3-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline

C15H8Cl3FN2S — CID 164626207

IUPAC2-(3-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
SMILESFc1cccc(Sc2nc3ccccc3nc2C(Cl)(Cl)Cl)c1
InChIInChI=1S/C15H8Cl3FN2S/c16-15(17,18)13-14(22-10-5-3-4-9(19)8-10)21-12-7-2-1-6-11(12)20-13/h1-8H
InChIKeyYLGORQDIJDBENG-UHFFFAOYSA-N
MW373.67 g/mol
LogP5.75
Rot. Bonds2

About 2-(3-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline

2-(3-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline (PubChem CID 164626207) has the molecular formula C15H8Cl3FN2S and a molecular weight of 373.67 g/mol. Its IUPAC name is 2-(3-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline.

Molecular Properties

Compound Name2-(3-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
PubChem CID164626207
Molecular FormulaC15H8Cl3FN2S
Molecular Weight373.67 g/mol
Exact Mass371.95
IUPAC Name2-(3-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
SMILESFc1cccc(Sc2nc3ccccc3nc2C(Cl)(Cl)Cl)c1
InChIInChI=1S/C15H8Cl3FN2S/c16-15(17,18)13-14(22-10-5-3-4-9(19)8-10)21-12-7-2-1-6-11(12)20-13/h1-8H
InChIKeyYLGORQDIJDBENG-UHFFFAOYSA-N
XLogP5.75
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.67
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
The IUPAC name of 2-(3-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline (CID 164626207) is 2-(3-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline.
What is the SMILES notation for 2-(3-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
The canonical SMILES for 2-(3-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline is Fc1cccc(Sc2nc3ccccc3nc2C(Cl)(Cl)Cl)c1.
What is the InChIKey of 2-(3-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
The InChIKey is YLGORQDIJDBENG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3FN2S/c16-15(17,18)13-14(22-10-5-3-4-9(19)8-10)21-12-7-2-1-6-11(12)20-13/h1-8H.
What are the key properties of 2-(3-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
2-(3-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline has a molecular weight of 373.67 g/mol, XLogP of 5.75, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline is sourced from PubChem (CID 164626207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).