tert-butyl-[(4-fluorophenyl)sulfonylmethoxy]-dimethylsilane

C13H21FO3SSi — CID 156756223

IUPACtert-butyl-[(4-fluorophenyl)sulfonylmethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H21FO3SSi/c1-13(2,3)19(4,5)17-10-18(15,16)12-8-6-11(14)7-9-12/h6-9H,10H2,1-5H3
InChIKeyJUXDLVJYZVKQMK-UHFFFAOYSA-N
MW304.46 g/mol
LogP3.58
Rot. Bonds4

About tert-butyl-[(4-fluorophenyl)sulfonylmethoxy]-dimethylsilane

tert-butyl-[(4-fluorophenyl)sulfonylmethoxy]-dimethylsilane (PubChem CID 156756223) has the molecular formula C13H21FO3SSi and a molecular weight of 304.46 g/mol. Its IUPAC name is tert-butyl-[(4-fluorophenyl)sulfonylmethoxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[(4-fluorophenyl)sulfonylmethoxy]-dimethylsilane
PubChem CID156756223
Molecular FormulaC13H21FO3SSi
Molecular Weight304.46 g/mol
Exact Mass304.10
IUPAC Nametert-butyl-[(4-fluorophenyl)sulfonylmethoxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OCS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H21FO3SSi/c1-13(2,3)19(4,5)17-10-18(15,16)12-8-6-11(14)7-9-12/h6-9H,10H2,1-5H3
InChIKeyJUXDLVJYZVKQMK-UHFFFAOYSA-N
XLogP3.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.46
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Phenyl Trimethylsilylmethyl Sulfone
CID 3290840
[Difluoro(phenylsulfonyl)methyl]trimethyl-silane
CID 10989156
[2-(4-Fluorophenylthiomethoxy)ethyl]trimethylsilane
CID 552758
N-(tert-Butyldimethylsilyl)-S-phenyl-S-difluoromethylsulfoximine
CID 78080453
[(E)-2-(benzenesulfonyl)-2-fluoroethenyl]-trimethylsilane
CID 134875849
AG-G-90643
CID 2724975
Silane, trimethyl[(phenylsulfonyl)ethynyl]-
CID 4183962
[(E)-2-(benzenesulfonyl)ethenyl]-trimethylsilane
CID 11770575
(3,3-Difluoro-3-(phenylsulfonyl)propyl)trimethylsilane
CID 16744214
(R)-N-tert-butyldimethylsilyl-S-difluoromethyl-S-phenylsulfoximine
CID 71474931
8-(p-Fluorophenylsulfonyl)-1,7-octadiene
CID 129813170
1-fluoro-4-[(Z)-non-5-en-4-yl]sulfonylbenzene
CID 132565731

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(4-fluorophenyl)sulfonylmethoxy]-dimethylsilane?
The IUPAC name of tert-butyl-[(4-fluorophenyl)sulfonylmethoxy]-dimethylsilane (CID 156756223) is tert-butyl-[(4-fluorophenyl)sulfonylmethoxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[(4-fluorophenyl)sulfonylmethoxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[(4-fluorophenyl)sulfonylmethoxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OCS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of tert-butyl-[(4-fluorophenyl)sulfonylmethoxy]-dimethylsilane?
The InChIKey is JUXDLVJYZVKQMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FO3SSi/c1-13(2,3)19(4,5)17-10-18(15,16)12-8-6-11(14)7-9-12/h6-9H,10H2,1-5H3.
What are the key properties of tert-butyl-[(4-fluorophenyl)sulfonylmethoxy]-dimethylsilane?
tert-butyl-[(4-fluorophenyl)sulfonylmethoxy]-dimethylsilane has a molecular weight of 304.46 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(4-fluorophenyl)sulfonylmethoxy]-dimethylsilane is sourced from PubChem (CID 156756223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).