1,1-difluoro-2-oxo-2-triethylsilyloxyethanesulfonic acid

C8H16F2O5SSi — CID 157431021

IUPAC1,1-difluoro-2-oxo-2-triethylsilyloxyethanesulfonic acid
SMILESCC[Si](CC)(CC)OC(=O)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C8H16F2O5SSi/c1-4-17(5-2,6-3)15-7(11)8(9,10)16(12,13)14/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyBQNOTDLZJJXAJL-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.02
Rot. Bonds6

About 1,1-difluoro-2-oxo-2-triethylsilyloxyethanesulfonic acid

1,1-difluoro-2-oxo-2-triethylsilyloxyethanesulfonic acid (PubChem CID 157431021) has the molecular formula C8H16F2O5SSi and a molecular weight of 290.36 g/mol. Its IUPAC name is 1,1-difluoro-2-oxo-2-triethylsilyloxyethanesulfonic acid.

Molecular Properties

Compound Name1,1-difluoro-2-oxo-2-triethylsilyloxyethanesulfonic acid
PubChem CID157431021
Molecular FormulaC8H16F2O5SSi
Molecular Weight290.36 g/mol
Exact Mass290.05
IUPAC Name1,1-difluoro-2-oxo-2-triethylsilyloxyethanesulfonic acid
SMILESCC[Si](CC)(CC)OC(=O)C(F)(F)S(=O)(=O)O
InChIInChI=1S/C8H16F2O5SSi/c1-4-17(5-2,6-3)15-7(11)8(9,10)16(12,13)14/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyBQNOTDLZJJXAJL-UHFFFAOYSA-N
XLogP2.02
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

triethylsilyl 2,2,2-trifluoroacetate
CID 11831178
2-(ethoxymethoxy)-1,1-difluoro-2-oxoethanesulfonic acid
CID 118231624
1,1-difluoro-2-(2-methylbutanoyloxymethoxy)-2-oxoethanesulfonic acid
CID 58903316
2-(1-ethylcyclopentyl)oxy-1,1-difluoro-2-oxoethanesulfonic acid
CID 170287788
1,1-difluoro-2-(3-methylbutan-2-yloxy)-2-oxoethanesulfonic acid
CID 129070703
2-(4-ethylphenoxy)-1,1-difluoro-2-oxoethanesulfonic acid
CID 140653925
2-(2-ethylhexoxy)-1,1-difluoro-2-oxoethanesulfonic acid
CID 58021572
1-ethoxy-2-fluoro-1-oxopropane-2-sulfonic acid
CID 90268260
1,1-difluoro-2-[1-(2-methylprop-2-enoyloxy)ethoxy]-2-oxoethanesulfonic acid
CID 58491434
2-(2,3-dihydroxypropoxy)-1,1-difluoro-2-oxoethanesulfonic acid
CID 58021584
1,1-difluoro-2-(2-imidazol-1-yl-2-oxoethoxy)-2-oxoethanesulfonic acid
CID 58400478
2-(cyclobutylmethoxy)-1,1-difluoro-2-oxoethanesulfonic acid
CID 87664780

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-oxo-2-triethylsilyloxyethanesulfonic acid?
The IUPAC name of 1,1-difluoro-2-oxo-2-triethylsilyloxyethanesulfonic acid (CID 157431021) is 1,1-difluoro-2-oxo-2-triethylsilyloxyethanesulfonic acid.
What is the SMILES notation for 1,1-difluoro-2-oxo-2-triethylsilyloxyethanesulfonic acid?
The canonical SMILES for 1,1-difluoro-2-oxo-2-triethylsilyloxyethanesulfonic acid is CC[Si](CC)(CC)OC(=O)C(F)(F)S(=O)(=O)O.
What is the InChIKey of 1,1-difluoro-2-oxo-2-triethylsilyloxyethanesulfonic acid?
The InChIKey is BQNOTDLZJJXAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16F2O5SSi/c1-4-17(5-2,6-3)15-7(11)8(9,10)16(12,13)14/h4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 1,1-difluoro-2-oxo-2-triethylsilyloxyethanesulfonic acid?
1,1-difluoro-2-oxo-2-triethylsilyloxyethanesulfonic acid has a molecular weight of 290.36 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-oxo-2-triethylsilyloxyethanesulfonic acid is sourced from PubChem (CID 157431021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).