2-cyclopentyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole

C21H19F6NS — CID 118908760

IUPAC2-cyclopentyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
SMILESFC(F)(F)CC(c1cccs1)c1c(C2CCCC2)[nH]c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C21H19F6NS/c22-20(23,24)11-15(17-6-3-9-29-17)18-14-8-7-13(21(25,26)27)10-16(14)28-19(18)12-4-1-2-5-12/h3,6-10,12,15,28H,1-2,4-5,11H2
InChIKeyPHKJPHLWAAFOMC-UHFFFAOYSA-N
MW431.45 g/mol
LogP7.99
Rot. Bonds4

About 2-cyclopentyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole

2-cyclopentyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole (PubChem CID 118908760) has the molecular formula C21H19F6NS and a molecular weight of 431.45 g/mol. Its IUPAC name is 2-cyclopentyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole.

Molecular Properties

Compound Name2-cyclopentyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
PubChem CID118908760
Molecular FormulaC21H19F6NS
Molecular Weight431.45 g/mol
Exact Mass431.11
IUPAC Name2-cyclopentyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole
SMILESFC(F)(F)CC(c1cccs1)c1c(C2CCCC2)[nH]c2cc(C(F)(F)F)ccc12
InChIInChI=1S/C21H19F6NS/c22-20(23,24)11-15(17-6-3-9-29-17)18-14-8-7-13(21(25,26)27)10-16(14)28-19(18)12-4-1-2-5-12/h3,6-10,12,15,28H,1-2,4-5,11H2
InChIKeyPHKJPHLWAAFOMC-UHFFFAOYSA-N
XLogP7.99
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.45
LogP ≤ 57.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
The IUPAC name of 2-cyclopentyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole (CID 118908760) is 2-cyclopentyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole.
What is the SMILES notation for 2-cyclopentyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
The canonical SMILES for 2-cyclopentyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole is FC(F)(F)CC(c1cccs1)c1c(C2CCCC2)[nH]c2cc(C(F)(F)F)ccc12.
What is the InChIKey of 2-cyclopentyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
The InChIKey is PHKJPHLWAAFOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F6NS/c22-20(23,24)11-15(17-6-3-9-29-17)18-14-8-7-13(21(25,26)27)10-16(14)28-19(18)12-4-1-2-5-12/h3,6-10,12,15,28H,1-2,4-5,11H2.
What are the key properties of 2-cyclopentyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole?
2-cyclopentyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole has a molecular weight of 431.45 g/mol, XLogP of 7.99, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-6-(trifluoromethyl)-3-(3,3,3-trifluoro-1-thiophen-2-ylpropyl)-1H-indole is sourced from PubChem (CID 118908760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).