CAS 6226-25-1|2,2,2-Trifluoroethyl trifluoromethanesulphonate 97%|2,2,2-trifluoroethyl trifluoromethanesulfonate|2,2,2-trifluoroethyl trifluoromethanesulfonate|2,2,2-Trifluoroethyl triflate|2,2,2-Tr...

General Information

Structure

Molecular Formula

C₃H₂F₆O₃S

Molecular Mass

232.1015992

Exact Mass

231.96288424

Charge

InChI

InChI=1S/C3H2F6O3S/c4-2(5,6)1-12-13(10,11)3(7,8)9/h1H2

InChIKey

RTMMSCJWQYWMNK-UHFFFAOYSA-N

Canonic Smiles

FC(COS(=O)(=O)C(F)(F)F)(F)F

Isomeric Smiles

C(S(=O)(=O)OCC(F)(F)F)(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

2.4810941

LogD (pH = 7.4)

2.4810941

Log P

2.4810941

Molar Refractivity

26.9143

Polarizability

11.415934

Polar Surface Area

43.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

2,2,2-Trifluoroethyl trifluoromethanesulphonate 97%2,2,2-Trifluoroethyl triflate2,2,2-Trifluoroethyl trifluoromethanesulfonate2,2,2-Trifluoroethanol TrifluoromethanesulfonateTrifluoromethanesulfonic Acid 2,2,2-Trifluoroethyl Ester2,2,2-Trifluoroethyl trifluoromethanesulfonate2,2,2-Trifluoroethyl trifluoromethylsulfonate2,2,2-Trifluoroethyl Triflate2,2,2-Trifluoroethyltrifluoromethanesulfonate

IUPAC Traditional name

2,2,2-trifluoroethyl trifluoromethanesulfonate

IUPAC name

2,2,2-trifluoroethyl trifluoromethanesulfonate

Names and Identifiers

Registration numbers

CAS Number

6226-25-1

MDL Number

MFCD00671579

PubChem SID

160971533