2,6-dichloro-3-(trifluoromethylsulfanyl)-1H-indole

C9H4Cl2F3NS — CID 146164970

IUPAC2,6-dichloro-3-(trifluoromethylsulfanyl)-1H-indole
SMILESFC(F)(F)Sc1c(Cl)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C9H4Cl2F3NS/c10-4-1-2-5-6(3-4)15-8(11)7(5)16-9(12,13)14/h1-3,15H
InChIKeyMWDKPMCBWJVJNX-UHFFFAOYSA-N
MW286.11 g/mol
LogP5.09
Rot. Bonds1

About 2,6-dichloro-3-(trifluoromethylsulfanyl)-1H-indole

2,6-dichloro-3-(trifluoromethylsulfanyl)-1H-indole (PubChem CID 146164970) has the molecular formula C9H4Cl2F3NS and a molecular weight of 286.11 g/mol. Its IUPAC name is 2,6-dichloro-3-(trifluoromethylsulfanyl)-1H-indole.

Molecular Properties

Compound Name2,6-dichloro-3-(trifluoromethylsulfanyl)-1H-indole
PubChem CID146164970
Molecular FormulaC9H4Cl2F3NS
Molecular Weight286.11 g/mol
Exact Mass284.94
IUPAC Name2,6-dichloro-3-(trifluoromethylsulfanyl)-1H-indole
SMILESFC(F)(F)Sc1c(Cl)[nH]c2cc(Cl)ccc12
InChIInChI=1S/C9H4Cl2F3NS/c10-4-1-2-5-6(3-4)15-8(11)7(5)16-9(12,13)14/h1-3,15H
InChIKeyMWDKPMCBWJVJNX-UHFFFAOYSA-N
XLogP5.09
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.11
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-3-(trifluoromethylsulfanyl)-1H-indole?
The IUPAC name of 2,6-dichloro-3-(trifluoromethylsulfanyl)-1H-indole (CID 146164970) is 2,6-dichloro-3-(trifluoromethylsulfanyl)-1H-indole.
What is the SMILES notation for 2,6-dichloro-3-(trifluoromethylsulfanyl)-1H-indole?
The canonical SMILES for 2,6-dichloro-3-(trifluoromethylsulfanyl)-1H-indole is FC(F)(F)Sc1c(Cl)[nH]c2cc(Cl)ccc12.
What is the InChIKey of 2,6-dichloro-3-(trifluoromethylsulfanyl)-1H-indole?
The InChIKey is MWDKPMCBWJVJNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4Cl2F3NS/c10-4-1-2-5-6(3-4)15-8(11)7(5)16-9(12,13)14/h1-3,15H.
What are the key properties of 2,6-dichloro-3-(trifluoromethylsulfanyl)-1H-indole?
2,6-dichloro-3-(trifluoromethylsulfanyl)-1H-indole has a molecular weight of 286.11 g/mol, XLogP of 5.09, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-3-(trifluoromethylsulfanyl)-1H-indole is sourced from PubChem (CID 146164970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).