[(E)-3-[difluoro(methyl)silyl]prop-2-enyl] methanesulfonate

C5H10F2O3SSi — CID 174136132

IUPAC[(E)-3-[difluoro(methyl)silyl]prop-2-enyl] methanesulfonate
SMILESC[Si](F)(F)/C=C/COS(C)(=O)=O
InChIInChI=1S/C5H10F2O3SSi/c1-11(8,9)10-4-3-5-12(2,6)7/h3,5H,4H2,1-2H3/b5-3+
InChIKeyKHBASAWKRXWPSR-HWKANZROSA-N
MW216.28 g/mol
LogP1.07
Rot. Bonds4

About [(E)-3-[difluoro(methyl)silyl]prop-2-enyl] methanesulfonate

[(E)-3-[difluoro(methyl)silyl]prop-2-enyl] methanesulfonate (PubChem CID 174136132) has the molecular formula C5H10F2O3SSi and a molecular weight of 216.28 g/mol. Its IUPAC name is [(E)-3-[difluoro(methyl)silyl]prop-2-enyl] methanesulfonate.

Molecular Properties

Compound Name[(E)-3-[difluoro(methyl)silyl]prop-2-enyl] methanesulfonate
PubChem CID174136132
Molecular FormulaC5H10F2O3SSi
Molecular Weight216.28 g/mol
Exact Mass216.01
IUPAC Name[(E)-3-[difluoro(methyl)silyl]prop-2-enyl] methanesulfonate
SMILESC[Si](F)(F)/C=C/COS(C)(=O)=O
InChIInChI=1S/C5H10F2O3SSi/c1-11(8,9)10-4-3-5-12(2,6)7/h3,5H,4H2,1-2H3/b5-3+
InChIKeyKHBASAWKRXWPSR-HWKANZROSA-N
XLogP1.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.28
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(E)-3-[difluoro(methyl)silyl]prop-2-enyl] methanesulfonate?
The IUPAC name of [(E)-3-[difluoro(methyl)silyl]prop-2-enyl] methanesulfonate (CID 174136132) is [(E)-3-[difluoro(methyl)silyl]prop-2-enyl] methanesulfonate.
What is the SMILES notation for [(E)-3-[difluoro(methyl)silyl]prop-2-enyl] methanesulfonate?
The canonical SMILES for [(E)-3-[difluoro(methyl)silyl]prop-2-enyl] methanesulfonate is C[Si](F)(F)/C=C/COS(C)(=O)=O.
What is the InChIKey of [(E)-3-[difluoro(methyl)silyl]prop-2-enyl] methanesulfonate?
The InChIKey is KHBASAWKRXWPSR-HWKANZROSA-N. The full InChI is InChI=1S/C5H10F2O3SSi/c1-11(8,9)10-4-3-5-12(2,6)7/h3,5H,4H2,1-2H3/b5-3+.
What are the key properties of [(E)-3-[difluoro(methyl)silyl]prop-2-enyl] methanesulfonate?
[(E)-3-[difluoro(methyl)silyl]prop-2-enyl] methanesulfonate has a molecular weight of 216.28 g/mol, XLogP of 1.07, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(E)-3-[difluoro(methyl)silyl]prop-2-enyl] methanesulfonate is sourced from PubChem (CID 174136132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).