2-(2,4,5-trifluoro-3-methoxyphenyl)sulfanylquinoxaline

C15H9F3N2OS — CID 139233554

IUPAC2-(2,4,5-trifluoro-3-methoxyphenyl)sulfanylquinoxaline
SMILESCOc1c(F)c(F)cc(Sc2cnc3ccccc3n2)c1F
InChIInChI=1S/C15H9F3N2OS/c1-21-15-13(17)8(16)6-11(14(15)18)22-12-7-19-9-4-2-3-5-10(9)20-12/h2-7H,1H3
InChIKeyHHBIKRIOALDBKA-UHFFFAOYSA-N
MW322.31 g/mol
LogP4.21
Rot. Bonds3

About 2-(2,4,5-trifluoro-3-methoxyphenyl)sulfanylquinoxaline

2-(2,4,5-trifluoro-3-methoxyphenyl)sulfanylquinoxaline (PubChem CID 139233554) has the molecular formula C15H9F3N2OS and a molecular weight of 322.31 g/mol. Its IUPAC name is 2-(2,4,5-trifluoro-3-methoxyphenyl)sulfanylquinoxaline.

Molecular Properties

Compound Name2-(2,4,5-trifluoro-3-methoxyphenyl)sulfanylquinoxaline
PubChem CID139233554
Molecular FormulaC15H9F3N2OS
Molecular Weight322.31 g/mol
Exact Mass322.04
IUPAC Name2-(2,4,5-trifluoro-3-methoxyphenyl)sulfanylquinoxaline
SMILESCOc1c(F)c(F)cc(Sc2cnc3ccccc3n2)c1F
InChIInChI=1S/C15H9F3N2OS/c1-21-15-13(17)8(16)6-11(14(15)18)22-12-7-19-9-4-2-3-5-10(9)20-12/h2-7H,1H3
InChIKeyHHBIKRIOALDBKA-UHFFFAOYSA-N
XLogP4.21
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-(2,4,5-trifluoro-3-methoxyphenyl)sulfanylquinoxaline 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-(2,4,5-trifluoro-3-methoxyphenyl)sulfanylquinoxaline?
The IUPAC name of 2-(2,4,5-trifluoro-3-methoxyphenyl)sulfanylquinoxaline (CID 139233554) is 2-(2,4,5-trifluoro-3-methoxyphenyl)sulfanylquinoxaline.
What is the SMILES notation for 2-(2,4,5-trifluoro-3-methoxyphenyl)sulfanylquinoxaline?
The canonical SMILES for 2-(2,4,5-trifluoro-3-methoxyphenyl)sulfanylquinoxaline is COc1c(F)c(F)cc(Sc2cnc3ccccc3n2)c1F.
What is the InChIKey of 2-(2,4,5-trifluoro-3-methoxyphenyl)sulfanylquinoxaline?
The InChIKey is HHBIKRIOALDBKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2OS/c1-21-15-13(17)8(16)6-11(14(15)18)22-12-7-19-9-4-2-3-5-10(9)20-12/h2-7H,1H3.
What are the key properties of 2-(2,4,5-trifluoro-3-methoxyphenyl)sulfanylquinoxaline?
2-(2,4,5-trifluoro-3-methoxyphenyl)sulfanylquinoxaline has a molecular weight of 322.31 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,5-trifluoro-3-methoxyphenyl)sulfanylquinoxaline is sourced from PubChem (CID 139233554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).