prop-2-enyl trifluoromethanesulfonate;silane

C4H9F3O3SSi — CID 174615184

IUPACprop-2-enyl trifluoromethanesulfonate;silane
SMILESC=CCOS(=O)(=O)C(F)(F)F.[SiH4]
InChIInChI=1S/C4H5F3O3S.H4Si/c1-2-3-10-11(8,9)4(5,6)7;/h2H,1,3H2;1H4
InChIKeyWVZXZGVUBXRNFT-UHFFFAOYSA-N
MW222.26 g/mol
LogP-0.41
Rot. Bonds3

About prop-2-enyl trifluoromethanesulfonate;silane

prop-2-enyl trifluoromethanesulfonate;silane (PubChem CID 174615184) has the molecular formula C4H9F3O3SSi and a molecular weight of 222.26 g/mol. Its IUPAC name is prop-2-enyl trifluoromethanesulfonate;silane.

Molecular Properties

Compound Nameprop-2-enyl trifluoromethanesulfonate;silane
PubChem CID174615184
Molecular FormulaC4H9F3O3SSi
Molecular Weight222.26 g/mol
Exact Mass222.00
IUPAC Nameprop-2-enyl trifluoromethanesulfonate;silane
SMILESC=CCOS(=O)(=O)C(F)(F)F.[SiH4]
InChIInChI=1S/C4H5F3O3S.H4Si/c1-2-3-10-11(8,9)4(5,6)7;/h2H,1,3H2;1H4
InChIKeyWVZXZGVUBXRNFT-UHFFFAOYSA-N
XLogP-0.41
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 5-0.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'triflate', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of prop-2-enyl trifluoromethanesulfonate;silane?
The IUPAC name of prop-2-enyl trifluoromethanesulfonate;silane (CID 174615184) is prop-2-enyl trifluoromethanesulfonate;silane.
What is the SMILES notation for prop-2-enyl trifluoromethanesulfonate;silane?
The canonical SMILES for prop-2-enyl trifluoromethanesulfonate;silane is C=CCOS(=O)(=O)C(F)(F)F.[SiH4].
What is the InChIKey of prop-2-enyl trifluoromethanesulfonate;silane?
The InChIKey is WVZXZGVUBXRNFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O3S.H4Si/c1-2-3-10-11(8,9)4(5,6)7;/h2H,1,3H2;1H4.
What are the key properties of prop-2-enyl trifluoromethanesulfonate;silane?
prop-2-enyl trifluoromethanesulfonate;silane has a molecular weight of 222.26 g/mol, XLogP of -0.41, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for prop-2-enyl trifluoromethanesulfonate;silane is sourced from PubChem (CID 174615184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).