2,2-dimethyl-1-[methyl-sulfonato-(trifluoromethyl)silyl]propane

C7H14F3O3SSi- — CID 154273740

IUPAC2,2-dimethyl-1-[methyl-sulfonato-(trifluoromethyl)silyl]propane
SMILESCC(C)(C)C[Si](C)(C(F)(F)F)S(=O)(=O)[O-]
InChIInChI=1S/C7H15F3O3SSi/c1-6(2,3)5-15(4,7(8,9)10)14(11,12)13/h5H2,1-4H3,(H,11,12,13)/p-1
InChIKeyJKLOASODMNSDGM-UHFFFAOYSA-M
MW263.33 g/mol
LogP2.25
Rot. Bonds2

About 2,2-dimethyl-1-[methyl-sulfonato-(trifluoromethyl)silyl]propane

2,2-dimethyl-1-[methyl-sulfonato-(trifluoromethyl)silyl]propane (PubChem CID 154273740) has the molecular formula C7H14F3O3SSi- and a molecular weight of 263.33 g/mol. Its IUPAC name is 2,2-dimethyl-1-[methyl-sulfonato-(trifluoromethyl)silyl]propane.

Molecular Properties

Compound Name2,2-dimethyl-1-[methyl-sulfonato-(trifluoromethyl)silyl]propane
PubChem CID154273740
Molecular FormulaC7H14F3O3SSi-
Molecular Weight263.33 g/mol
Exact Mass263.04
IUPAC Name2,2-dimethyl-1-[methyl-sulfonato-(trifluoromethyl)silyl]propane
SMILESCC(C)(C)C[Si](C)(C(F)(F)F)S(=O)(=O)[O-]
InChIInChI=1S/C7H15F3O3SSi/c1-6(2,3)5-15(4,7(8,9)10)14(11,12)13/h5H2,1-4H3,(H,11,12,13)/p-1
InChIKeyJKLOASODMNSDGM-UHFFFAOYSA-M
XLogP2.25
TPSA57.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.33
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

2,2-dimethylpropyl-fluoro-dimethylsilane
CID 150997006
bis(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-olate);molybdenum
CID 158302613
1,1,1-trifluoro-2-methylpropane-2-sulfonate
CID 159704009
2-methyl-2-sulfanylpropane-1-sulfonate
CID 140801867
(2R)-2-ethyl-5,5-dimethyl-2-(trifluoromethylsulfonyloxy)hexanoic acid
CID 88706827
diazanium;3,3-dimethylbutane-1-sulfonate;hydrogen sulfate
CID 155673965
lithium 1,1,2,2-tetrafluoropentane-1-sulfonate
CID 122481559
trifluoro(trimethylsilylsulfonyloxy)methane
CID 15145415
2,2-difluoro-5,5-dimethylhexanoic acid
CID 83855276
ditert-butyliodanium;trifluoromethanesulfonate
CID 87291991
potassium 1,1,2,2-tetrafluoropentane-1-sulfonate
CID 122481459
potassium 2,2,4,4-tetrafluoropentane-1-sulfonate
CID 145140204

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-1-[methyl-sulfonato-(trifluoromethyl)silyl]propane?
The IUPAC name of 2,2-dimethyl-1-[methyl-sulfonato-(trifluoromethyl)silyl]propane (CID 154273740) is 2,2-dimethyl-1-[methyl-sulfonato-(trifluoromethyl)silyl]propane.
What is the SMILES notation for 2,2-dimethyl-1-[methyl-sulfonato-(trifluoromethyl)silyl]propane?
The canonical SMILES for 2,2-dimethyl-1-[methyl-sulfonato-(trifluoromethyl)silyl]propane is CC(C)(C)C[Si](C)(C(F)(F)F)S(=O)(=O)[O-].
What is the InChIKey of 2,2-dimethyl-1-[methyl-sulfonato-(trifluoromethyl)silyl]propane?
The InChIKey is JKLOASODMNSDGM-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H15F3O3SSi/c1-6(2,3)5-15(4,7(8,9)10)14(11,12)13/h5H2,1-4H3,(H,11,12,13)/p-1.
What are the key properties of 2,2-dimethyl-1-[methyl-sulfonato-(trifluoromethyl)silyl]propane?
2,2-dimethyl-1-[methyl-sulfonato-(trifluoromethyl)silyl]propane has a molecular weight of 263.33 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-1-[methyl-sulfonato-(trifluoromethyl)silyl]propane is sourced from PubChem (CID 154273740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).