[difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate

C7H10F2O6S2 — CID 87856380

IUPAC[difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OC(F)(F)OS(=O)(=O)CC=C
InChIInChI=1S/C7H10F2O6S2/c1-3-5-16(10,11)14-7(8,9)15-17(12,13)6-4-2/h3-4H,1-2,5-6H2
InChIKeyXBLDFHOXTKXVHR-UHFFFAOYSA-N
MW292.28 g/mol
LogP0.60
Rot. Bonds8

About [difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate

[difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate (PubChem CID 87856380) has the molecular formula C7H10F2O6S2 and a molecular weight of 292.28 g/mol. Its IUPAC name is [difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate.

Molecular Properties

Compound Name[difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate
PubChem CID87856380
Molecular FormulaC7H10F2O6S2
Molecular Weight292.28 g/mol
Exact Mass291.99
IUPAC Name[difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate
SMILESC=CCS(=O)(=O)OC(F)(F)OS(=O)(=O)CC=C
InChIInChI=1S/C7H10F2O6S2/c1-3-5-16(10,11)14-7(8,9)15-17(12,13)6-4-2/h3-4H,1-2,5-6H2
InChIKeyXBLDFHOXTKXVHR-UHFFFAOYSA-N
XLogP0.60
TPSA86.74 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 50.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze [difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate?
The IUPAC name of [difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate (CID 87856380) is [difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate.
What is the SMILES notation for [difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate?
The canonical SMILES for [difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate is C=CCS(=O)(=O)OC(F)(F)OS(=O)(=O)CC=C.
What is the InChIKey of [difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate?
The InChIKey is XBLDFHOXTKXVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F2O6S2/c1-3-5-16(10,11)14-7(8,9)15-17(12,13)6-4-2/h3-4H,1-2,5-6H2.
What are the key properties of [difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate?
[difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate has a molecular weight of 292.28 g/mol, XLogP of 0.60, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [difluoro(prop-2-enylsulfonyloxy)methyl] prop-2-ene-1-sulfonate is sourced from PubChem (CID 87856380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).