[5-(trifluoromethyl)indol-1-yl] thiohypoiodite

C9H5F3INS — CID 145185577

IUPAC[5-(trifluoromethyl)indol-1-yl] thiohypoiodite
SMILESFC(F)(F)c1ccc2c(ccn2SI)c1
InChIInChI=1S/C9H5F3INS/c10-9(11,12)7-1-2-8-6(5-7)3-4-14(8)15-13/h1-5H
InChIKeyUILNHXYBGCIHPV-UHFFFAOYSA-N
MW343.11 g/mol
LogP4.51
Rot. Bonds1

About [5-(trifluoromethyl)indol-1-yl] thiohypoiodite

[5-(trifluoromethyl)indol-1-yl] thiohypoiodite (PubChem CID 145185577) has the molecular formula C9H5F3INS and a molecular weight of 343.11 g/mol. Its IUPAC name is [5-(trifluoromethyl)indol-1-yl] thiohypoiodite.

Molecular Properties

Compound Name[5-(trifluoromethyl)indol-1-yl] thiohypoiodite
PubChem CID145185577
Molecular FormulaC9H5F3INS
Molecular Weight343.11 g/mol
Exact Mass342.91
IUPAC Name[5-(trifluoromethyl)indol-1-yl] thiohypoiodite
SMILESFC(F)(F)c1ccc2c(ccn2SI)c1
InChIInChI=1S/C9H5F3INS/c10-9(11,12)7-1-2-8-6(5-7)3-4-14(8)15-13/h1-5H
InChIKeyUILNHXYBGCIHPV-UHFFFAOYSA-N
XLogP4.51
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.11
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze [5-(trifluoromethyl)indol-1-yl] thiohypoiodite 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 [5-(trifluoromethyl)indol-1-yl] thiohypoiodite?
The IUPAC name of [5-(trifluoromethyl)indol-1-yl] thiohypoiodite (CID 145185577) is [5-(trifluoromethyl)indol-1-yl] thiohypoiodite.
What is the SMILES notation for [5-(trifluoromethyl)indol-1-yl] thiohypoiodite?
The canonical SMILES for [5-(trifluoromethyl)indol-1-yl] thiohypoiodite is FC(F)(F)c1ccc2c(ccn2SI)c1.
What is the InChIKey of [5-(trifluoromethyl)indol-1-yl] thiohypoiodite?
The InChIKey is UILNHXYBGCIHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F3INS/c10-9(11,12)7-1-2-8-6(5-7)3-4-14(8)15-13/h1-5H.
What are the key properties of [5-(trifluoromethyl)indol-1-yl] thiohypoiodite?
[5-(trifluoromethyl)indol-1-yl] thiohypoiodite has a molecular weight of 343.11 g/mol, XLogP of 4.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(trifluoromethyl)indol-1-yl] thiohypoiodite is sourced from PubChem (CID 145185577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).