CAS 2043-57-4|1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane|1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane|1H,1H,2H,2H-Perfluorooctyl iodide|1-Iodo-1H,1H,2H,2H-tridecafluorooctane|8-Iod...

General Information

Structure

Molecular Formula

C₈H₄F₁₃I

Molecular Mass

474.0010716

Exact Mass

473.91501499

Charge

InChI

InChI=1S/C8H4F13I/c9-3(10,1-2-22)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h1-2H2

InChIKey

NVVZEKTVIXIUKW-UHFFFAOYSA-N

Canonic Smiles

ICCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric Smiles

FC(C(C(C(C(C(CCI)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

6.180401

LogD (pH = 7.4)

6.180401

Log P

6.180401

Molar Refractivity

52.7864

Polarizability

20.919552

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Names and Identifiers

IUPAC Traditional name

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane

Synonyms

1H,1H,2H,2H-Perfluorooctyl iodide2-(Perfluorohex-1-yl)ethyl iodide1-Iodo-2-(perfluorohex-1-yl)ethane1-Iodo-1H,1H,2H,2H-tridecafluorooctane8-Iodo-1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluorooctane3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl iodide1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane1H,1H,2H,2H-Perfluorooctyl iodide1,1,1,2,2,3,3,4,4,5,5,6,6-十三氟-8-碘辛烷8-碘-1,1,1,2,2,3,3,4,4,5,5,6,6-十三氟辛烷3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基碘1H,1H,2H,2H-Perfluorooctyl iodide1H,1H,2H,2H-全氟碘辛烷1H,1H,2H,2H-全氟碘辛烷1-碘-1H,1H,2H,2H-全氟辛烷1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-iodooctane1H,1H,2H,2H-Perfluoro-1-iodooctane1-Iodo-1H,1H,2H,2H-perfluorooctane

IUPAC name

1,1,1,2,2,3,3,4,4,5,5,6,6-tridecafluoro-8-iodooctane

Names and Identifiers

Registration numbers

PubChem SID

CAS Number

EC Number

MDL Number