3-[ethyl(difluoro)silyl]propyl methanesulfonate

C6H14F2O3SSi — CID 174136214

IUPAC3-[ethyl(difluoro)silyl]propyl methanesulfonate
SMILESCC[Si](F)(F)CCCOS(C)(=O)=O
InChIInChI=1S/C6H14F2O3SSi/c1-3-13(7,8)6-4-5-11-12(2,9)10/h3-6H2,1-2H3
InChIKeyYABQMXKMZZKMAK-UHFFFAOYSA-N
MW232.32 g/mol
LogP1.75
Rot. Bonds6

About 3-[ethyl(difluoro)silyl]propyl methanesulfonate

3-[ethyl(difluoro)silyl]propyl methanesulfonate (PubChem CID 174136214) has the molecular formula C6H14F2O3SSi and a molecular weight of 232.32 g/mol. Its IUPAC name is 3-[ethyl(difluoro)silyl]propyl methanesulfonate.

Molecular Properties

Compound Name3-[ethyl(difluoro)silyl]propyl methanesulfonate
PubChem CID174136214
Molecular FormulaC6H14F2O3SSi
Molecular Weight232.32 g/mol
Exact Mass232.04
IUPAC Name3-[ethyl(difluoro)silyl]propyl methanesulfonate
SMILESCC[Si](F)(F)CCCOS(C)(=O)=O
InChIInChI=1S/C6H14F2O3SSi/c1-3-13(7,8)6-4-5-11-12(2,9)10/h3-6H2,1-2H3
InChIKeyYABQMXKMZZKMAK-UHFFFAOYSA-N
XLogP1.75
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-[ethyl(difluoro)silyl]propyl methanesulfonate 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 3-[ethyl(difluoro)silyl]propyl methanesulfonate?
The IUPAC name of 3-[ethyl(difluoro)silyl]propyl methanesulfonate (CID 174136214) is 3-[ethyl(difluoro)silyl]propyl methanesulfonate.
What is the SMILES notation for 3-[ethyl(difluoro)silyl]propyl methanesulfonate?
The canonical SMILES for 3-[ethyl(difluoro)silyl]propyl methanesulfonate is CC[Si](F)(F)CCCOS(C)(=O)=O.
What is the InChIKey of 3-[ethyl(difluoro)silyl]propyl methanesulfonate?
The InChIKey is YABQMXKMZZKMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14F2O3SSi/c1-3-13(7,8)6-4-5-11-12(2,9)10/h3-6H2,1-2H3.
What are the key properties of 3-[ethyl(difluoro)silyl]propyl methanesulfonate?
3-[ethyl(difluoro)silyl]propyl methanesulfonate has a molecular weight of 232.32 g/mol, XLogP of 1.75, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl(difluoro)silyl]propyl methanesulfonate is sourced from PubChem (CID 174136214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).