3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole

C26H19F6NS — CID 102496349

IUPAC3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole
SMILESCc1sc(-c2ccccc2)cc1C1=C(c2c(C)n(C)c3ccccc23)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C26H19F6NS/c1-14-21(17-11-7-8-12-19(17)33(14)3)23-22(24(27,28)26(31,32)25(23,29)30)18-13-20(34-15(18)2)16-9-5-4-6-10-16/h4-13H,1-3H3
InChIKeyOUZHIOPLCPIODD-UHFFFAOYSA-N
MW491.50 g/mol
LogP8.35
Rot. Bonds3

About 3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole

3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole (PubChem CID 102496349) has the molecular formula C26H19F6NS and a molecular weight of 491.50 g/mol. Its IUPAC name is 3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole.

Molecular Properties

Compound Name3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole
PubChem CID102496349
Molecular FormulaC26H19F6NS
Molecular Weight491.50 g/mol
Exact Mass491.11
IUPAC Name3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole
SMILESCc1sc(-c2ccccc2)cc1C1=C(c2c(C)n(C)c3ccccc23)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C26H19F6NS/c1-14-21(17-11-7-8-12-19(17)33(14)3)23-22(24(27,28)26(31,32)25(23,29)30)18-13-20(34-15(18)2)16-9-5-4-6-10-16/h4-13H,1-3H3
InChIKeyOUZHIOPLCPIODD-UHFFFAOYSA-N
XLogP8.35
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.50
LogP ≤ 58.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Analyze 3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole with MolForge

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Related Compounds

AC 93253
CID 16078948
dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
3-(5-Thien-3-ylpyridin-3-yl)-1Hindole 3h
CID 5329368
6-fluoro-3-[(3R,4R)-4-fluoropiperidin-3-yl]-2-thiophen-3-yl-1H-indole
CID 10495787
3-Ethyl-2-[3-(1,3,3-trimethyl-1,3-dihydro-2H-indol-2-ylidene)-1-propen-1-yl]-1,3-benzothiazol-3-ium
CID 2859122
2-methyl-3-[phenyl(thiophen-2-yl)methyl]-1H-indole
CID 16018421
AC-93253 iodide
CID 2255545
1-methyl-3-[(1-methyl-1H-indol-3-yl)(thien-2-yl)methyl]-1H-indole
CID 5087383
2-Ethyl-6-fluoro-3-{1-[3-(4-fluorophenylsulfanyl)-propyl]-piperidin-4-YL}-1-phenyl-1H-indole
CID 11952524
Dimethyl-[2-(6-thiophen-3-yl-indol-1-yl)-ethyl]-amine
CID 18007589
2-Ethyl-6-fluoro-3-[1-[3-(4-fluorophenyl)sulfanylpropyl]piperidin-4-yl]-1-methylindole
CID 57718829

Frequently Asked Questions

What is the IUPAC name of 3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole?
The IUPAC name of 3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole (CID 102496349) is 3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole.
What is the SMILES notation for 3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole?
The canonical SMILES for 3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole is Cc1sc(-c2ccccc2)cc1C1=C(c2c(C)n(C)c3ccccc23)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole?
The InChIKey is OUZHIOPLCPIODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F6NS/c1-14-21(17-11-7-8-12-19(17)33(14)3)23-22(24(27,28)26(31,32)25(23,29)30)18-13-20(34-15(18)2)16-9-5-4-6-10-16/h4-13H,1-3H3.
What are the key properties of 3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole?
3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole has a molecular weight of 491.50 g/mol, XLogP of 8.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3,4,4,5,5-hexafluoro-2-(2-methyl-5-phenylthiophen-3-yl)cyclopenten-1-yl]-1,2-dimethylindole is sourced from PubChem (CID 102496349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).