silyl 2,2,2-trifluoroethanesulfonate

C2H5F3O3SSi — CID 150644822

IUPACsilyl 2,2,2-trifluoroethanesulfonate
SMILESO=S(=O)(CC(F)(F)F)O[SiH3]
InChIInChI=1S/C2H5F3O3SSi/c3-2(4,5)1-9(6,7)8-10/h1H2,10H3
InChIKeyJAQPRDYFWGELBZ-UHFFFAOYSA-N
MW194.21 g/mol
LogP-0.82
Rot. Bonds2

About silyl 2,2,2-trifluoroethanesulfonate

silyl 2,2,2-trifluoroethanesulfonate (PubChem CID 150644822) has the molecular formula C2H5F3O3SSi and a molecular weight of 194.21 g/mol. Its IUPAC name is silyl 2,2,2-trifluoroethanesulfonate.

Molecular Properties

Compound Namesilyl 2,2,2-trifluoroethanesulfonate
PubChem CID150644822
Molecular FormulaC2H5F3O3SSi
Molecular Weight194.21 g/mol
Exact Mass193.97
IUPAC Namesilyl 2,2,2-trifluoroethanesulfonate
SMILESO=S(=O)(CC(F)(F)F)O[SiH3]
InChIInChI=1S/C2H5F3O3SSi/c3-2(4,5)1-9(6,7)8-10/h1H2,10H3
InChIKeyJAQPRDYFWGELBZ-UHFFFAOYSA-N
XLogP-0.82
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 5-0.82
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 silyl 2,2,2-trifluoroethanesulfonate?
The IUPAC name of silyl 2,2,2-trifluoroethanesulfonate (CID 150644822) is silyl 2,2,2-trifluoroethanesulfonate.
What is the SMILES notation for silyl 2,2,2-trifluoroethanesulfonate?
The canonical SMILES for silyl 2,2,2-trifluoroethanesulfonate is O=S(=O)(CC(F)(F)F)O[SiH3].
What is the InChIKey of silyl 2,2,2-trifluoroethanesulfonate?
The InChIKey is JAQPRDYFWGELBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5F3O3SSi/c3-2(4,5)1-9(6,7)8-10/h1H2,10H3.
What are the key properties of silyl 2,2,2-trifluoroethanesulfonate?
silyl 2,2,2-trifluoroethanesulfonate has a molecular weight of 194.21 g/mol, XLogP of -0.82, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for silyl 2,2,2-trifluoroethanesulfonate is sourced from PubChem (CID 150644822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).