CAS 66137-74-4|5-Iodooctafluoro-3-oxapentanesulfonyl fluoride|1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethane-1-sulfonyl fluoride|1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoetho...

General Information

Structure

Molecular Formula

C₄F₉IO₃S

Molecular Mass

425.9960988

Exact Mass

425.84691684

Charge

InChI

InChI=1S/C4F9IO3S/c5-1(6,14)2(7,8)17-3(9,10)4(11,12)18(13,15)16

InChIKey

XSLYISNQTJHKMP-UHFFFAOYSA-N

Canonic Smiles

FC(C(I)(F)F)(OC(C(S(=O)(=O)F)(F)F)(F)F)F

Isomeric Smiles

S(=O)(=O)(F)C(C(OC(C(I)(F)F)(F)F)(F)F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.6957

LogD (pH = 7.4)

3.6957

Log P

3.6957

Molar Refractivity

47.056

Polarizability

19.069416

Polar Surface Area

43.37

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethane-1-sulfonyl fluoride

Synonyms

5-Iodooctafluoro-3-oxapentanesulfonyl fluoride2-[(2-Iodo-1,1,2,2-tetrafluoroethyl)oxy]-1,1,2,2-tetrafluoroethanesulphonyl fluoride5-Iodooctafluoro-3-oxapentanesulphonyl fluoride5-Iodoperfluoro-3-oxapentanesulphonyl fluoride2-(2-碘-四氟乙氧基)四氟乙基硫酰氟Tetrafluoro-2-(tetrafluoro-2-iodoethoxy)ethanesulfonyl fluoride

IUPAC Traditional name

1,1,2,2-tetrafluoro-2-(1,1,2,2-tetrafluoro-2-iodoethoxy)ethanesulfonyl fluoride

Names and Identifiers

Registration numbers

PubChem SID

EC Number

CAS Number

MDL Number