CAS 103962-05-6|1-iodo-4-(trifluoromethoxy)benzene|4-(Trifluoromethoxy)iodobenzene|1-iodo-4-(trifluoromethoxy)benzene|4-(Trifluoromethoxy)iodobenzene 97%|1-Iodo-4-trifluoromethoxybenzene|1-碘-4-三氟...

General Information

Structure

Molecular Formula

C₇H₄F₃IO

Molecular Mass

288.0057396

Exact Mass

287.92589741

Charge

InChI

InChI=1S/C7H4F3IO/c8-7(9,10)12-6-3-1-5(11)2-4-6/h1-4H

InChIKey

RTUDBROGOZBBIC-UHFFFAOYSA-N

Canonic Smiles

FC(Oc1ccc(cc1)I)(F)F

Isomeric Smiles

c1c(ccc(c1)I)OC(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.333302

LogD (pH = 7.4)

4.333302

Log P

4.333302

Molar Refractivity

42.4908

Polarizability

17.866243

Polar Surface Area

9.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

1-iodo-4-(trifluoromethoxy)benzene

IUPAC name

1-iodo-4-(trifluoromethoxy)benzene

Synonyms

4-(Trifluoromethoxy)iodobenzene4-(Trifluoromethoxy)iodobenzene 97%4-Iodo-α,α,α-trifluoromethoxybenzene4-碘-α,α,α-三氟甲氧基苯4-(Trifluoromethoxy)iodobenzene4-(三氟甲氧基)碘苯1-Iodo-4-trifluoromethoxybenzene1-碘-4-三氟甲氧基苯4-(Trifluoromethoxy)iodobenzene1-Iodo-4-(trifluoromethoxy)benzene1-碘-4-(三氟甲氧基)苯1-Iodo-4-(trifluoromethoxy)benzene

Names and Identifiers

Registration numbers

PubChem SID

MDL Number

CAS Number

EC Number

Beilstein Number