tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]sulfonylmethoxy]silane

C14H21F3O3SSi — CID 156756205

IUPACtert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]sulfonylmethoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H21F3O3SSi/c1-13(2,3)22(4,5)20-10-21(18,19)12-8-6-11(7-9-12)14(15,16)17/h6-9H,10H2,1-5H3
InChIKeyBJDACJHHZDNPAS-UHFFFAOYSA-N
MW354.47 g/mol
LogP4.46
Rot. Bonds4

About tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]sulfonylmethoxy]silane

tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]sulfonylmethoxy]silane (PubChem CID 156756205) has the molecular formula C14H21F3O3SSi and a molecular weight of 354.47 g/mol. Its IUPAC name is tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]sulfonylmethoxy]silane.

Molecular Properties

Compound Nametert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]sulfonylmethoxy]silane
PubChem CID156756205
Molecular FormulaC14H21F3O3SSi
Molecular Weight354.47 g/mol
Exact Mass354.09
IUPAC Nametert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]sulfonylmethoxy]silane
SMILESCC(C)(C)[Si](C)(C)OCS(=O)(=O)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C14H21F3O3SSi/c1-13(2,3)22(4,5)20-10-21(18,19)12-8-6-11(7-9-12)14(15,16)17/h6-9H,10H2,1-5H3
InChIKeyBJDACJHHZDNPAS-UHFFFAOYSA-N
XLogP4.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 54.46
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

Silanol, trimethyl-, 4-methylbenzenesulfonate
CID 615236
p-Tolyl [2-(trimethylsilyl)ethynyl] sulfone
CID 5075769
1-Methyl-4-((trifluoromethyl)sulfonyl)benzene
CID 882246
2-(4-CHLOROSULFONYLPHENYL)ETHYLTRIMETHOXYSILANE, 50% in methylene chloride
CID 2733807
(4-Methylphenyl)sulfonylmethyl trifluoromethanesulfonate
CID 308723
1-(Difluoromethylsulfonyl)-4-methylbenzene
CID 2308715
4-Trifluoromethylphenylmethylsulfone
CID 2760763
1-[[[(Trifluoromethyl)sulfonyl]methyl]sulfonyl]-4-methylbenzene
CID 10756748
1-[(E)-(2,2-difluoro-3,3-dimethylcyclopropylidene)methyl]sulfonyl-4-methylbenzene
CID 16098161
1-[(E)-1-fluoro-4,4-dimethylpent-1-enyl]sulfonyl-4-methylbenzene
CID 101142846
1-[(E)-1,3-difluoroprop-1-enyl]sulfonyl-4-methylbenzene
CID 101142854
1-(1-Fluoro-4-methylpentyl)sulfonyl-4-methylbenzene
CID 134893790

Frequently Asked Questions

What is the IUPAC name of tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]sulfonylmethoxy]silane?
The IUPAC name of tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]sulfonylmethoxy]silane (CID 156756205) is tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]sulfonylmethoxy]silane.
What is the SMILES notation for tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]sulfonylmethoxy]silane?
The canonical SMILES for tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]sulfonylmethoxy]silane is CC(C)(C)[Si](C)(C)OCS(=O)(=O)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]sulfonylmethoxy]silane?
The InChIKey is BJDACJHHZDNPAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F3O3SSi/c1-13(2,3)22(4,5)20-10-21(18,19)12-8-6-11(7-9-12)14(15,16)17/h6-9H,10H2,1-5H3.
What are the key properties of tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]sulfonylmethoxy]silane?
tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]sulfonylmethoxy]silane has a molecular weight of 354.47 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-dimethyl-[[4-(trifluoromethyl)phenyl]sulfonylmethoxy]silane is sourced from PubChem (CID 156756205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).