CAS 423-39-2|1,1,1,2,2,3,3,4,4-nonafluoro-4-iodobutane|1,1,1,2,2,3,3,4,4-nonafluoro-4-iodobutane|Perfluorobutyl iodide|Perfluorobutyl iodide 98%|1,1,1,2,2,3,3,4,4-Nonafluoro-4-iodobutane|1-Iodoperfl...

General Information

Structure

Molecular Formula

C₄F₉I

Molecular Mass

345.9328988

Exact Mass

345.89010198

Charge

InChI

InChI=1S/C4F9I/c5-1(6,3(9,10)11)2(7,8)4(12,13)14

InChIKey

PGRFXXCKHGIFSV-UHFFFAOYSA-N

Canonic Smiles

FC(C(C(C(I)(F)F)(F)F)(F)F)(F)F

Isomeric Smiles

IC(C(C(C(F)(F)F)(F)F)(F)F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

3.9026

LogD (pH = 7.4)

3.9026

Log P

3.9026

Molar Refractivity

35.1799

Polarizability

13.96537

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1,1,1,2,2,3,3,4,4-nonafluoro-4-iodobutane

IUPAC name

1,1,1,2,2,3,3,4,4-nonafluoro-4-iodobutane

Synonyms

Perfluorobutyl iodidePerfluorobutyl iodide 98%1,1,1,2,2,3,3,4,4-Nonafluoro-4-iodobutane1-Iodoperfluorobutane全氟碘代丁烷Nonafluoro-1-iodobutane九氟-4-碘代丁烷Perfluorobutyl iodide1-碘全氟丁烷Perfluoro-n-butyl iodide1-Iodononafluorobutane1-碘九氟丁烷

Names and Identifiers

Registration numbers

MDL Number

CAS Number

Beilstein Number

EC Number

PubChem SID