1,1-difluoro-3-trimethoxysilylpropane-1-sulfonic acid

C6H14F2O6SSi — CID 171753998

IUPAC1,1-difluoro-3-trimethoxysilylpropane-1-sulfonic acid
SMILESCO[Si](CCC(F)(F)S(=O)(=O)O)(OC)OC
InChIInChI=1S/C6H14F2O6SSi/c1-12-16(13-2,14-3)5-4-6(7,8)15(9,10)11/h4-5H2,1-3H3,(H,9,10,11)
InChIKeyJVBDGPZBCWGVDD-UHFFFAOYSA-N
MW280.32 g/mol
LogP0.74
Rot. Bonds7

About 1,1-difluoro-3-trimethoxysilylpropane-1-sulfonic acid

1,1-difluoro-3-trimethoxysilylpropane-1-sulfonic acid (PubChem CID 171753998) has the molecular formula C6H14F2O6SSi and a molecular weight of 280.32 g/mol. Its IUPAC name is 1,1-difluoro-3-trimethoxysilylpropane-1-sulfonic acid.

Molecular Properties

Compound Name1,1-difluoro-3-trimethoxysilylpropane-1-sulfonic acid
PubChem CID171753998
Molecular FormulaC6H14F2O6SSi
Molecular Weight280.32 g/mol
Exact Mass280.02
IUPAC Name1,1-difluoro-3-trimethoxysilylpropane-1-sulfonic acid
SMILESCO[Si](CCC(F)(F)S(=O)(=O)O)(OC)OC
InChIInChI=1S/C6H14F2O6SSi/c1-12-16(13-2,14-3)5-4-6(7,8)15(9,10)11/h4-5H2,1-3H3,(H,9,10,11)
InChIKeyJVBDGPZBCWGVDD-UHFFFAOYSA-N
XLogP0.74
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 50.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-trimethoxysilylpropane-1-sulfonic acid?
The IUPAC name of 1,1-difluoro-3-trimethoxysilylpropane-1-sulfonic acid (CID 171753998) is 1,1-difluoro-3-trimethoxysilylpropane-1-sulfonic acid.
What is the SMILES notation for 1,1-difluoro-3-trimethoxysilylpropane-1-sulfonic acid?
The canonical SMILES for 1,1-difluoro-3-trimethoxysilylpropane-1-sulfonic acid is CO[Si](CCC(F)(F)S(=O)(=O)O)(OC)OC.
What is the InChIKey of 1,1-difluoro-3-trimethoxysilylpropane-1-sulfonic acid?
The InChIKey is JVBDGPZBCWGVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2O6SSi/c1-12-16(13-2,14-3)5-4-6(7,8)15(9,10)11/h4-5H2,1-3H3,(H,9,10,11).
What are the key properties of 1,1-difluoro-3-trimethoxysilylpropane-1-sulfonic acid?
1,1-difluoro-3-trimethoxysilylpropane-1-sulfonic acid has a molecular weight of 280.32 g/mol, XLogP of 0.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-trimethoxysilylpropane-1-sulfonic acid is sourced from PubChem (CID 171753998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).