2-(4-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline

C15H8Cl3FN2S — CID 164618532

IUPAC2-(4-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
SMILESFc1ccc(Sc2nc3ccccc3nc2C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C15H8Cl3FN2S/c16-15(17,18)13-14(22-10-7-5-9(19)6-8-10)21-12-4-2-1-3-11(12)20-13/h1-8H
InChIKeySGESSLVSWSPPEM-UHFFFAOYSA-N
MW373.67 g/mol
LogP5.75
Rot. Bonds2

About 2-(4-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline

2-(4-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline (PubChem CID 164618532) has the molecular formula C15H8Cl3FN2S and a molecular weight of 373.67 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
PubChem CID164618532
Molecular FormulaC15H8Cl3FN2S
Molecular Weight373.67 g/mol
Exact Mass371.95
IUPAC Name2-(4-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline
SMILESFc1ccc(Sc2nc3ccccc3nc2C(Cl)(Cl)Cl)cc1
InChIInChI=1S/C15H8Cl3FN2S/c16-15(17,18)13-14(22-10-7-5-9(19)6-8-10)21-12-4-2-1-3-11(12)20-13/h1-8H
InChIKeySGESSLVSWSPPEM-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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline (CID 164618532) is 2-(4-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline is Fc1ccc(Sc2nc3ccccc3nc2C(Cl)(Cl)Cl)cc1.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
The InChIKey is SGESSLVSWSPPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8Cl3FN2S/c16-15(17,18)13-14(22-10-7-5-9(19)6-8-10)21-12-4-2-1-3-11(12)20-13/h1-8H.
What are the key properties of 2-(4-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline?
2-(4-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-(4-fluorophenyl)sulfanyl-3-(trichloromethyl)quinoxaline is sourced from PubChem (CID 164618532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).