3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-indole

C15H10F3NS — CID 138982756

IUPAC3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-indole
SMILESFC(F)(F)c1ccccc1Sc1c[nH]c2ccccc12
InChIInChI=1S/C15H10F3NS/c16-15(17,18)11-6-2-4-8-13(11)20-14-9-19-12-7-3-1-5-10(12)14/h1-9,19H
InChIKeyFRHMJXBTJBRPDS-UHFFFAOYSA-N
MW293.31 g/mol
LogP5.34
Rot. Bonds2

About 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-indole

3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-indole (PubChem CID 138982756) has the molecular formula C15H10F3NS and a molecular weight of 293.31 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-indole.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-indole
PubChem CID138982756
Molecular FormulaC15H10F3NS
Molecular Weight293.31 g/mol
Exact Mass293.05
IUPAC Name3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-indole
SMILESFC(F)(F)c1ccccc1Sc1c[nH]c2ccccc12
InChIInChI=1S/C15H10F3NS/c16-15(17,18)11-6-2-4-8-13(11)20-14-9-19-12-7-3-1-5-10(12)14/h1-9,19H
InChIKeyFRHMJXBTJBRPDS-UHFFFAOYSA-N
XLogP5.34
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500293.31
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-indole?
The IUPAC name of 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-indole (CID 138982756) is 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-indole.
What is the SMILES notation for 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-indole?
The canonical SMILES for 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-indole is FC(F)(F)c1ccccc1Sc1c[nH]c2ccccc12.
What is the InChIKey of 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-indole?
The InChIKey is FRHMJXBTJBRPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3NS/c16-15(17,18)11-6-2-4-8-13(11)20-14-9-19-12-7-3-1-5-10(12)14/h1-9,19H.
What are the key properties of 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-indole?
3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-indole has a molecular weight of 293.31 g/mol, XLogP of 5.34, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)phenyl]sulfanyl-1H-indole is sourced from PubChem (CID 138982756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).