6-(trifluoromethylsulfanyl)-1H-indole

C9H6F3NS — CID 142476966

IUPAC6-(trifluoromethylsulfanyl)-1H-indole
SMILESFC(F)(F)Sc1ccc2cc[nH]c2c1
InChIInChI=1S/C9H6F3NS/c10-9(11,12)14-7-2-1-6-3-4-13-8(6)5-7/h1-5,13H
InChIKeyWPINQPLXMQXDOG-UHFFFAOYSA-N
MW217.22 g/mol
LogP3.78
Rot. Bonds1

About 6-(trifluoromethylsulfanyl)-1H-indole

6-(trifluoromethylsulfanyl)-1H-indole (PubChem CID 142476966) has the molecular formula C9H6F3NS and a molecular weight of 217.22 g/mol. Its IUPAC name is 6-(trifluoromethylsulfanyl)-1H-indole.

Molecular Properties

Compound Name6-(trifluoromethylsulfanyl)-1H-indole
PubChem CID142476966
Molecular FormulaC9H6F3NS
Molecular Weight217.22 g/mol
Exact Mass217.02
IUPAC Name6-(trifluoromethylsulfanyl)-1H-indole
SMILESFC(F)(F)Sc1ccc2cc[nH]c2c1
InChIInChI=1S/C9H6F3NS/c10-9(11,12)14-7-2-1-6-3-4-13-8(6)5-7/h1-5,13H
InChIKeyWPINQPLXMQXDOG-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

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethylsulfanyl)-1H-indole?
The IUPAC name of 6-(trifluoromethylsulfanyl)-1H-indole (CID 142476966) is 6-(trifluoromethylsulfanyl)-1H-indole.
What is the SMILES notation for 6-(trifluoromethylsulfanyl)-1H-indole?
The canonical SMILES for 6-(trifluoromethylsulfanyl)-1H-indole is FC(F)(F)Sc1ccc2cc[nH]c2c1.
What is the InChIKey of 6-(trifluoromethylsulfanyl)-1H-indole?
The InChIKey is WPINQPLXMQXDOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NS/c10-9(11,12)14-7-2-1-6-3-4-13-8(6)5-7/h1-5,13H.
What are the key properties of 6-(trifluoromethylsulfanyl)-1H-indole?
6-(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 6-(trifluoromethylsulfanyl)-1H-indole is sourced from PubChem (CID 142476966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).