6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole

C22H18F3NS — CID 118908776

IUPAC6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
SMILESCc1ccc2c(C(CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C22H18F3NS/c1-14-9-10-16-18(12-14)26-21(15-6-3-2-4-7-15)20(16)17(13-22(23,24)25)19-8-5-11-27-19/h2-12,17,26H,13H2,1H3
InChIKeyQTDMXCDXBFGJAI-UHFFFAOYSA-N
MW385.45 g/mol
LogP7.29
Rot. Bonds4

About 6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole

6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole (PubChem CID 118908776) has the molecular formula C22H18F3NS and a molecular weight of 385.45 g/mol. Its IUPAC name is 6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole.

Molecular Properties

Compound Name6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
PubChem CID118908776
Molecular FormulaC22H18F3NS
Molecular Weight385.45 g/mol
Exact Mass385.11
IUPAC Name6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
SMILESCc1ccc2c(C(CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C22H18F3NS/c1-14-9-10-16-18(12-14)26-21(15-6-3-2-4-7-15)20(16)17(13-22(23,24)25)19-8-5-11-27-19/h2-12,17,26H,13H2,1H3
InChIKeyQTDMXCDXBFGJAI-UHFFFAOYSA-N
XLogP7.29
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.45
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

6-Methyl-3-(2-nitro-1-(2-thienyl)ethyl)-2-phenyl-1H-indole
CID 71819307
2-Trifluoromethyl-9H-Carbazole
CID 12169809
6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole
CID 10495787
2-(thiophen-2-yl)-1H-indole
CID 2795653
2-(1H-indol-3-yl)-2-(thiophen-2-yl)ethan-1-amine
CID 3745859
2-(difluoromethyl)-9H-carbazole
CID 46855212
2-[5-(4-carbamimidoylphenyl)thiophen-2-yl]-1H-indole-6-carboximidamide
CID 162368339
3-[phenyl(thiophen-2-yl)methyl]-1H-indole
CID 10859200
2-methyl-3-[phenyl(thiophen-2-yl)methyl]-1H-indole
CID 16018421
10H-[1]Benzothieno[3,2-b]indole
CID 354261
2-methyl-3-[(4-methylpiperazin-1-yl)(thiophen-2-yl)methyl]-1H-indole
CID 4133550
3-{4-[2-(4-Thiophen-2-yl-3,6-dihydro-2H-pyridin-1-yl)-ethyl]-cyclohexyl}-1H-indole
CID 10834274

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
The IUPAC name of 6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole (CID 118908776) is 6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole.
What is the SMILES notation for 6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
The canonical SMILES for 6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole is Cc1ccc2c(C(CC(F)(F)F)c3cccs3)c(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
The InChIKey is QTDMXCDXBFGJAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18F3NS/c1-14-9-10-16-18(12-14)26-21(15-6-3-2-4-7-15)20(16)17(13-22(23,24)25)19-8-5-11-27-19/h2-12,17,26H,13H2,1H3.
What are the key properties of 6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole has a molecular weight of 385.45 g/mol, XLogP of 7.29, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-phenyl-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole is sourced from PubChem (CID 118908776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).