3-(2,2,3,3,4,4,5,5-octafluoropentylsulfanyl)-1H-indole

C13H9F8NS — CID 162434660

IUPAC3-(2,2,3,3,4,4,5,5-octafluoropentylsulfanyl)-1H-indole
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)CSc1c[nH]c2ccccc12
InChIInChI=1S/C13H9F8NS/c14-10(15)12(18,19)13(20,21)11(16,17)6-23-9-5-22-8-4-2-1-3-7(8)9/h1-5,10,22H,6H2
InChIKeyHYNAJIWLOSROIZ-UHFFFAOYSA-N
MW363.27 g/mol
LogP5.43
Rot. Bonds6

About 3-(2,2,3,3,4,4,5,5-octafluoropentylsulfanyl)-1H-indole

3-(2,2,3,3,4,4,5,5-octafluoropentylsulfanyl)-1H-indole (PubChem CID 162434660) has the molecular formula C13H9F8NS and a molecular weight of 363.27 g/mol. Its IUPAC name is 3-(2,2,3,3,4,4,5,5-octafluoropentylsulfanyl)-1H-indole.

Molecular Properties

Compound Name3-(2,2,3,3,4,4,5,5-octafluoropentylsulfanyl)-1H-indole
PubChem CID162434660
Molecular FormulaC13H9F8NS
Molecular Weight363.27 g/mol
Exact Mass363.03
IUPAC Name3-(2,2,3,3,4,4,5,5-octafluoropentylsulfanyl)-1H-indole
SMILESFC(F)C(F)(F)C(F)(F)C(F)(F)CSc1c[nH]c2ccccc12
InChIInChI=1S/C13H9F8NS/c14-10(15)12(18,19)13(20,21)11(16,17)6-23-9-5-22-8-4-2-1-3-7(8)9/h1-5,10,22H,6H2
InChIKeyHYNAJIWLOSROIZ-UHFFFAOYSA-N
XLogP5.43
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.27
LogP ≤ 55.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2,2,3,3,4,4,5,5-octafluoropentylsulfanyl)-1H-indole with MolForge

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Related Compounds

3-[(4-methylphenyl)methylsulfanyl]-1H-indole
CID 43949394
3-[4-(trifluoromethoxy)phenyl]sulfanyl-1H-indole
CID 102584538
2-(1H-indol-3-ylsulfanyl)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 4164690
3-methoxysulfanyl-1H-indole
CID 141186328
3-(1-phenylethylsulfanyl)-1H-indole
CID 43949396
N,N-dibenzyl-2-(1H-indol-3-ylsulfanyl)acetamide
CID 164625229
N-[2-(1H-indol-3-ylsulfanyl)ethyl]-2-phenylacetamide
CID 2156352
S-(1H-indol-3-yl) carbamothioate
CID 118129188
(1R)-2,2,2-trifluoro-1-(1H-indol-3-yl)ethanamine
CID 42553559
3-(2-fluoropropyl)-1H-indole
CID 142409179
3-(1,1-difluoropropyl)-1H-indole
CID 116841267
2,2-difluoro-2-(1H-indol-3-yl)ethanol
CID 116841147

Frequently Asked Questions

What is the IUPAC name of 3-(2,2,3,3,4,4,5,5-octafluoropentylsulfanyl)-1H-indole?
The IUPAC name of 3-(2,2,3,3,4,4,5,5-octafluoropentylsulfanyl)-1H-indole (CID 162434660) is 3-(2,2,3,3,4,4,5,5-octafluoropentylsulfanyl)-1H-indole.
What is the SMILES notation for 3-(2,2,3,3,4,4,5,5-octafluoropentylsulfanyl)-1H-indole?
The canonical SMILES for 3-(2,2,3,3,4,4,5,5-octafluoropentylsulfanyl)-1H-indole is FC(F)C(F)(F)C(F)(F)C(F)(F)CSc1c[nH]c2ccccc12.
What is the InChIKey of 3-(2,2,3,3,4,4,5,5-octafluoropentylsulfanyl)-1H-indole?
The InChIKey is HYNAJIWLOSROIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F8NS/c14-10(15)12(18,19)13(20,21)11(16,17)6-23-9-5-22-8-4-2-1-3-7(8)9/h1-5,10,22H,6H2.
What are the key properties of 3-(2,2,3,3,4,4,5,5-octafluoropentylsulfanyl)-1H-indole?
3-(2,2,3,3,4,4,5,5-octafluoropentylsulfanyl)-1H-indole has a molecular weight of 363.27 g/mol, XLogP of 5.43, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,3,3,4,4,5,5-octafluoropentylsulfanyl)-1H-indole is sourced from PubChem (CID 162434660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).