2-phenylsulfanyl-3-(trifluoromethyl)quinoxaline

C15H9F3N2S — CID 164620397

IUPAC2-phenylsulfanyl-3-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1nc2ccccc2nc1Sc1ccccc1
InChIInChI=1S/C15H9F3N2S/c16-15(17,18)13-14(21-10-6-2-1-3-7-10)20-12-9-5-4-8-11(12)19-13/h1-9H
InChIKeyKDQALEVYLGCWLP-UHFFFAOYSA-N
MW306.31 g/mol
LogP4.80
Rot. Bonds2

About 2-phenylsulfanyl-3-(trifluoromethyl)quinoxaline

2-phenylsulfanyl-3-(trifluoromethyl)quinoxaline (PubChem CID 164620397) has the molecular formula C15H9F3N2S and a molecular weight of 306.31 g/mol. Its IUPAC name is 2-phenylsulfanyl-3-(trifluoromethyl)quinoxaline.

Molecular Properties

Compound Name2-phenylsulfanyl-3-(trifluoromethyl)quinoxaline
PubChem CID164620397
Molecular FormulaC15H9F3N2S
Molecular Weight306.31 g/mol
Exact Mass306.04
IUPAC Name2-phenylsulfanyl-3-(trifluoromethyl)quinoxaline
SMILESFC(F)(F)c1nc2ccccc2nc1Sc1ccccc1
InChIInChI=1S/C15H9F3N2S/c16-15(17,18)13-14(21-10-6-2-1-3-7-10)20-12-9-5-4-8-11(12)19-13/h1-9H
InChIKeyKDQALEVYLGCWLP-UHFFFAOYSA-N
XLogP4.80
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.31
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-phenylsulfanyl-3-(trifluoromethyl)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-phenylsulfanyl-3-(trifluoromethyl)quinoxaline?
The IUPAC name of 2-phenylsulfanyl-3-(trifluoromethyl)quinoxaline (CID 164620397) is 2-phenylsulfanyl-3-(trifluoromethyl)quinoxaline.
What is the SMILES notation for 2-phenylsulfanyl-3-(trifluoromethyl)quinoxaline?
The canonical SMILES for 2-phenylsulfanyl-3-(trifluoromethyl)quinoxaline is FC(F)(F)c1nc2ccccc2nc1Sc1ccccc1.
What is the InChIKey of 2-phenylsulfanyl-3-(trifluoromethyl)quinoxaline?
The InChIKey is KDQALEVYLGCWLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9F3N2S/c16-15(17,18)13-14(21-10-6-2-1-3-7-10)20-12-9-5-4-8-11(12)19-13/h1-9H.
What are the key properties of 2-phenylsulfanyl-3-(trifluoromethyl)quinoxaline?
2-phenylsulfanyl-3-(trifluoromethyl)quinoxaline has a molecular weight of 306.31 g/mol, XLogP of 4.80, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylsulfanyl-3-(trifluoromethyl)quinoxaline is sourced from PubChem (CID 164620397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).