trimethyl-[1-methyl-5-(trifluoromethylsulfonyl)indol-4-yl]silane

C13H16F3NO2SSi — CID 135398240

IUPACtrimethyl-[1-methyl-5-(trifluoromethylsulfonyl)indol-4-yl]silane
SMILESCn1ccc2c([Si](C)(C)C)c(S(=O)(=O)C(F)(F)F)ccc21
InChIInChI=1S/C13H16F3NO2SSi/c1-17-8-7-9-10(17)5-6-11(12(9)21(2,3)4)20(18,19)13(14,15)16/h5-8H,1-4H3
InChIKeyOUOSRTWNQKKIPR-UHFFFAOYSA-N
MW335.42 g/mol
LogP3.02
Rot. Bonds2

About trimethyl-[1-methyl-5-(trifluoromethylsulfonyl)indol-4-yl]silane

trimethyl-[1-methyl-5-(trifluoromethylsulfonyl)indol-4-yl]silane (PubChem CID 135398240) has the molecular formula C13H16F3NO2SSi and a molecular weight of 335.42 g/mol. Its IUPAC name is trimethyl-[1-methyl-5-(trifluoromethylsulfonyl)indol-4-yl]silane.

Molecular Properties

Compound Nametrimethyl-[1-methyl-5-(trifluoromethylsulfonyl)indol-4-yl]silane
PubChem CID135398240
Molecular FormulaC13H16F3NO2SSi
Molecular Weight335.42 g/mol
Exact Mass335.06
IUPAC Nametrimethyl-[1-methyl-5-(trifluoromethylsulfonyl)indol-4-yl]silane
SMILESCn1ccc2c([Si](C)(C)C)c(S(=O)(=O)C(F)(F)F)ccc21
InChIInChI=1S/C13H16F3NO2SSi/c1-17-8-7-9-10(17)5-6-11(12(9)21(2,3)4)20(18,19)13(14,15)16/h5-8H,1-4H3
InChIKeyOUOSRTWNQKKIPR-UHFFFAOYSA-N
XLogP3.02
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.42
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[1-methyl-5-(trifluoromethylsulfonyl)indol-4-yl]silane?
The IUPAC name of trimethyl-[1-methyl-5-(trifluoromethylsulfonyl)indol-4-yl]silane (CID 135398240) is trimethyl-[1-methyl-5-(trifluoromethylsulfonyl)indol-4-yl]silane.
What is the SMILES notation for trimethyl-[1-methyl-5-(trifluoromethylsulfonyl)indol-4-yl]silane?
The canonical SMILES for trimethyl-[1-methyl-5-(trifluoromethylsulfonyl)indol-4-yl]silane is Cn1ccc2c([Si](C)(C)C)c(S(=O)(=O)C(F)(F)F)ccc21.
What is the InChIKey of trimethyl-[1-methyl-5-(trifluoromethylsulfonyl)indol-4-yl]silane?
The InChIKey is OUOSRTWNQKKIPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3NO2SSi/c1-17-8-7-9-10(17)5-6-11(12(9)21(2,3)4)20(18,19)13(14,15)16/h5-8H,1-4H3.
What are the key properties of trimethyl-[1-methyl-5-(trifluoromethylsulfonyl)indol-4-yl]silane?
trimethyl-[1-methyl-5-(trifluoromethylsulfonyl)indol-4-yl]silane has a molecular weight of 335.42 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[1-methyl-5-(trifluoromethylsulfonyl)indol-4-yl]silane is sourced from PubChem (CID 135398240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).