trimethyl-[2-[[6-(trifluoromethylsulfanyl)indol-1-yl]methoxy]ethyl]silane

C15H20F3NOSSi — CID 150078931

IUPACtrimethyl-[2-[[6-(trifluoromethylsulfanyl)indol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ccc2ccc(SC(F)(F)F)cc21
InChIInChI=1S/C15H20F3NOSSi/c1-22(2,3)9-8-20-11-19-7-6-12-4-5-13(10-14(12)19)21-15(16,17)18/h4-7,10H,8-9,11H2,1-3H3
InChIKeyDQVRACUTVIIKQX-UHFFFAOYSA-N
MW347.48 g/mol
LogP5.57
Rot. Bonds6

About trimethyl-[2-[[6-(trifluoromethylsulfanyl)indol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[6-(trifluoromethylsulfanyl)indol-1-yl]methoxy]ethyl]silane (PubChem CID 150078931) has the molecular formula C15H20F3NOSSi and a molecular weight of 347.48 g/mol. Its IUPAC name is trimethyl-[2-[[6-(trifluoromethylsulfanyl)indol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[6-(trifluoromethylsulfanyl)indol-1-yl]methoxy]ethyl]silane
PubChem CID150078931
Molecular FormulaC15H20F3NOSSi
Molecular Weight347.48 g/mol
Exact Mass347.10
IUPAC Nametrimethyl-[2-[[6-(trifluoromethylsulfanyl)indol-1-yl]methoxy]ethyl]silane
SMILESC[Si](C)(C)CCOCn1ccc2ccc(SC(F)(F)F)cc21
InChIInChI=1S/C15H20F3NOSSi/c1-22(2,3)9-8-20-11-19-7-6-12-4-5-13(10-14(12)19)21-15(16,17)18/h4-7,10H,8-9,11H2,1-3H3
InChIKeyDQVRACUTVIIKQX-UHFFFAOYSA-N
XLogP5.57
TPSA14.16 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.48
LogP ≤ 55.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-Methyl-3-thiocyanatoindole
CID 10921283
1H-Indole, 3-(ethenylthio)-1-ethyl-
CID 51079
1-(tert-butyldimethylsilyl)-1H-indole-6-sulfonyl chloride
CID 86775152
1-Methyl-3-(trifluoromethylthio)-1H-indole
CID 132561621
1-Methyl-3-(trifluoromethylsulfinyl)indole
CID 141728891
1-methyl-3-(methylthio)-1H-indole
CID 2777819
1-Methyl-5-(trifluoromethylsulfanyl)indole
CID 166070336
N-methyl-4-trimethylsilyl-5-trifluoromethylsulfonylindole
CID 135398240
1-(2-trimethylsilanyl-ethoxymethyl)-1H-indole
CID 11096925
1-Methyl-3-(trifluoromethylsulfonyl)-1H-indole
CID 54597968
1-[1-(1,1-Difluorobutoxy)-2,2,2-trifluoroethyl]indole
CID 57667524
5-fluoro-1-(2-trimethylsilanyl-ethoxymethyl)-1H-indole
CID 69065385

Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[6-(trifluoromethylsulfanyl)indol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[6-(trifluoromethylsulfanyl)indol-1-yl]methoxy]ethyl]silane (CID 150078931) is trimethyl-[2-[[6-(trifluoromethylsulfanyl)indol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[6-(trifluoromethylsulfanyl)indol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[6-(trifluoromethylsulfanyl)indol-1-yl]methoxy]ethyl]silane is C[Si](C)(C)CCOCn1ccc2ccc(SC(F)(F)F)cc21.
What is the InChIKey of trimethyl-[2-[[6-(trifluoromethylsulfanyl)indol-1-yl]methoxy]ethyl]silane?
The InChIKey is DQVRACUTVIIKQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3NOSSi/c1-22(2,3)9-8-20-11-19-7-6-12-4-5-13(10-14(12)19)21-15(16,17)18/h4-7,10H,8-9,11H2,1-3H3.
What are the key properties of trimethyl-[2-[[6-(trifluoromethylsulfanyl)indol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[6-(trifluoromethylsulfanyl)indol-1-yl]methoxy]ethyl]silane has a molecular weight of 347.48 g/mol, XLogP of 5.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[6-(trifluoromethylsulfanyl)indol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 150078931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).