3-(trifluoromethylsulfanyl)-1H-indole

C9H6F3NS — CID 15335351

IUPAC3-(trifluoromethylsulfanyl)-1H-indole
SMILESFC(F)(F)Sc1c[nH]c2ccccc12
InChIInChI=1S/C9H6F3NS/c10-9(11,12)14-8-5-13-7-4-2-1-3-6(7)8/h1-5,13H
InChIKeyVPEMXTXUUMXJNY-UHFFFAOYSA-N
MW217.22 g/mol
LogP3.78
Rot. Bonds1

About 3-(trifluoromethylsulfanyl)-1H-indole

3-(trifluoromethylsulfanyl)-1H-indole (PubChem CID 15335351) has the molecular formula C9H6F3NS and a molecular weight of 217.22 g/mol. Its IUPAC name is 3-(trifluoromethylsulfanyl)-1H-indole.

Molecular Properties

Compound Name3-(trifluoromethylsulfanyl)-1H-indole
PubChem CID15335351
Molecular FormulaC9H6F3NS
Molecular Weight217.22 g/mol
Exact Mass217.02
IUPAC Name3-(trifluoromethylsulfanyl)-1H-indole
SMILESFC(F)(F)Sc1c[nH]c2ccccc12
InChIInChI=1S/C9H6F3NS/c10-9(11,12)14-8-5-13-7-4-2-1-3-6(7)8/h1-5,13H
InChIKeyVPEMXTXUUMXJNY-UHFFFAOYSA-N
XLogP3.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(trifluoromethylsulfanyl)-1H-indole 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 3-(trifluoromethylsulfanyl)-1H-indole?
The IUPAC name of 3-(trifluoromethylsulfanyl)-1H-indole (CID 15335351) is 3-(trifluoromethylsulfanyl)-1H-indole.
What is the SMILES notation for 3-(trifluoromethylsulfanyl)-1H-indole?
The canonical SMILES for 3-(trifluoromethylsulfanyl)-1H-indole is FC(F)(F)Sc1c[nH]c2ccccc12.
What is the InChIKey of 3-(trifluoromethylsulfanyl)-1H-indole?
The InChIKey is VPEMXTXUUMXJNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NS/c10-9(11,12)14-8-5-13-7-4-2-1-3-6(7)8/h1-5,13H.
What are the key properties of 3-(trifluoromethylsulfanyl)-1H-indole?
3-(trifluoromethylsulfanyl)-1H-indole has a molecular weight of 217.22 g/mol, XLogP of 3.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfanyl)-1H-indole is sourced from PubChem (CID 15335351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).