CAS 68734-62-3|trimethylsilyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate|Trimethylsilyl nonafluorobutanesulfonate|trimethylsilyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate|Trimethylsilyl non...

General Information

Structure

Molecular Formula

C₇H₉F₉O₃SSi

Molecular Mass

372.2806888

Exact Mass

371.98979566

Charge

InChI

InChI=1S/C7H9F9O3SSi/c1-21(2,3)19-20(17,18)7(15,16)5(10,11)4(8,9)6(12,13)14/h1-3H3

InChIKey

XMIPIKYUVSCYKT-UHFFFAOYSA-N

Canonic Smiles

FC(C(C(C(F)(F)F)(F)F)(F)F)(S(=O)(=O)O[Si](C)(C)C)F

Isomeric Smiles

[Si](OS(=O)(=O)C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(C)(C)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.8245

LogD (pH = 7.4)

4.8245

Log P

4.8245

Molar Refractivity

48.4328

Polarizability

21.148232

Polar Surface Area

43.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

trimethylsilyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

Synonyms

Trimethylsilyl nonafluorobutanesulfonateTrimethylsilyl nonafluorobutanesulphonate 97%TrimethylsilylnonaflateTrimethylsilyl perfluoro-1-butanesulfonateTrimethylsilyl nonaflate三甲基硅基全氟丁基磺酸酯三甲基硅基九氟-1-丁烷磺酸酯Trimethylsilyl nonafluoro-1-butanesulfonate三甲基硅基全氟-1-丁烷磺酸酯

IUPAC Traditional name

trimethylsilyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

Names and Identifiers

Registration numbers

MDL Number

CAS Number

Beilstein Number

PubChem SID