3-(2,4,6-trifluorophenyl)sulfanyl-1H-indole

C14H8F3NS — CID 146164979

IUPAC3-(2,4,6-trifluorophenyl)sulfanyl-1H-indole
SMILESFc1cc(F)c(Sc2c[nH]c3ccccc23)c(F)c1
InChIInChI=1S/C14H8F3NS/c15-8-5-10(16)14(11(17)6-8)19-13-7-18-12-4-2-1-3-9(12)13/h1-7,18H
InChIKeyFDEJCOUOTIZADT-UHFFFAOYSA-N
MW279.29 g/mol
LogP4.74
Rot. Bonds2

About 3-(2,4,6-trifluorophenyl)sulfanyl-1H-indole

3-(2,4,6-trifluorophenyl)sulfanyl-1H-indole (PubChem CID 146164979) has the molecular formula C14H8F3NS and a molecular weight of 279.29 g/mol. Its IUPAC name is 3-(2,4,6-trifluorophenyl)sulfanyl-1H-indole.

Molecular Properties

Compound Name3-(2,4,6-trifluorophenyl)sulfanyl-1H-indole
PubChem CID146164979
Molecular FormulaC14H8F3NS
Molecular Weight279.29 g/mol
Exact Mass279.03
IUPAC Name3-(2,4,6-trifluorophenyl)sulfanyl-1H-indole
SMILESFc1cc(F)c(Sc2c[nH]c3ccccc23)c(F)c1
InChIInChI=1S/C14H8F3NS/c15-8-5-10(16)14(11(17)6-8)19-13-7-18-12-4-2-1-3-9(12)13/h1-7,18H
InChIKeyFDEJCOUOTIZADT-UHFFFAOYSA-N
XLogP4.74
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4,6-trifluorophenyl)sulfanyl-1H-indole?
The IUPAC name of 3-(2,4,6-trifluorophenyl)sulfanyl-1H-indole (CID 146164979) is 3-(2,4,6-trifluorophenyl)sulfanyl-1H-indole.
What is the SMILES notation for 3-(2,4,6-trifluorophenyl)sulfanyl-1H-indole?
The canonical SMILES for 3-(2,4,6-trifluorophenyl)sulfanyl-1H-indole is Fc1cc(F)c(Sc2c[nH]c3ccccc23)c(F)c1.
What is the InChIKey of 3-(2,4,6-trifluorophenyl)sulfanyl-1H-indole?
The InChIKey is FDEJCOUOTIZADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3NS/c15-8-5-10(16)14(11(17)6-8)19-13-7-18-12-4-2-1-3-9(12)13/h1-7,18H.
What are the key properties of 3-(2,4,6-trifluorophenyl)sulfanyl-1H-indole?
3-(2,4,6-trifluorophenyl)sulfanyl-1H-indole has a molecular weight of 279.29 g/mol, XLogP of 4.74, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4,6-trifluorophenyl)sulfanyl-1H-indole is sourced from PubChem (CID 146164979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).