diethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane

C14H23FO4SSi — CID 90224596

IUPACdiethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane
SMILESCCO[Si](C)(CCCS(=O)(=O)c1ccc(F)cc1)OCC
InChIInChI=1S/C14H23FO4SSi/c1-4-18-21(3,19-5-2)12-6-11-20(16,17)14-9-7-13(15)8-10-14/h7-10H,4-6,11-12H2,1-3H3
InChIKeyXOIITFQTTUENJM-UHFFFAOYSA-N
MW334.49 g/mol
LogP3.13
Rot. Bonds9

About diethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane

diethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane (PubChem CID 90224596) has the molecular formula C14H23FO4SSi and a molecular weight of 334.49 g/mol. Its IUPAC name is diethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane.

Molecular Properties

Compound Namediethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane
PubChem CID90224596
Molecular FormulaC14H23FO4SSi
Molecular Weight334.49 g/mol
Exact Mass334.11
IUPAC Namediethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane
SMILESCCO[Si](C)(CCCS(=O)(=O)c1ccc(F)cc1)OCC
InChIInChI=1S/C14H23FO4SSi/c1-4-18-21(3,19-5-2)12-6-11-20(16,17)14-9-7-13(15)8-10-14/h7-10H,4-6,11-12H2,1-3H3
InChIKeyXOIITFQTTUENJM-UHFFFAOYSA-N
XLogP3.13
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.49
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane?
The IUPAC name of diethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane (CID 90224596) is diethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane.
What is the SMILES notation for diethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane?
The canonical SMILES for diethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane is CCO[Si](C)(CCCS(=O)(=O)c1ccc(F)cc1)OCC.
What is the InChIKey of diethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane?
The InChIKey is XOIITFQTTUENJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23FO4SSi/c1-4-18-21(3,19-5-2)12-6-11-20(16,17)14-9-7-13(15)8-10-14/h7-10H,4-6,11-12H2,1-3H3.
What are the key properties of diethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane?
diethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane has a molecular weight of 334.49 g/mol, XLogP of 3.13, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy-[3-(4-fluorophenyl)sulfonylpropyl]-methylsilane is sourced from PubChem (CID 90224596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).