trimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane

C12H17F3OSSi — CID 90402467

IUPACtrimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane
SMILESCSc1ccc(C(O[Si](C)(C)C)C(F)(F)F)cc1
InChIInChI=1S/C12H17F3OSSi/c1-17-10-7-5-9(6-8-10)11(12(13,14)15)16-18(2,3)4/h5-8,11H,1-4H3
InChIKeyGHUWMJJCETZMGO-UHFFFAOYSA-N
MW294.41 g/mol
LogP4.86
Rot. Bonds4

About trimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane

trimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane (PubChem CID 90402467) has the molecular formula C12H17F3OSSi and a molecular weight of 294.41 g/mol. Its IUPAC name is trimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane.

Molecular Properties

Compound Nametrimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane
PubChem CID90402467
Molecular FormulaC12H17F3OSSi
Molecular Weight294.41 g/mol
Exact Mass294.07
IUPAC Nametrimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane
SMILESCSc1ccc(C(O[Si](C)(C)C)C(F)(F)F)cc1
InChIInChI=1S/C12H17F3OSSi/c1-17-10-7-5-9(6-8-10)11(12(13,14)15)16-18(2,3)4/h5-8,11H,1-4H3
InChIKeyGHUWMJJCETZMGO-UHFFFAOYSA-N
XLogP4.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane?
The IUPAC name of trimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane (CID 90402467) is trimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane.
What is the SMILES notation for trimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane?
The canonical SMILES for trimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane is CSc1ccc(C(O[Si](C)(C)C)C(F)(F)F)cc1.
What is the InChIKey of trimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane?
The InChIKey is GHUWMJJCETZMGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17F3OSSi/c1-17-10-7-5-9(6-8-10)11(12(13,14)15)16-18(2,3)4/h5-8,11H,1-4H3.
What are the key properties of trimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane?
trimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane has a molecular weight of 294.41 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2,2,2-trifluoro-1-(4-methylsulfanylphenyl)ethoxy]silane is sourced from PubChem (CID 90402467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).