CAS 2144-53-8|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate|1H,1H,2H,2H-Perfluorooctyl methacrylate|1H,1H,2H,2...

General Information

Structure

Molecular Formula

C₁₂H₉F₁₃O₂

Molecular Mass

432.1779016

Exact Mass

432.03949639

Charge

InChI

InChI=1S/C12H9F13O2/c1-5(2)6(26)27-4-3-7(13,14)8(15,16)9(17,18)10(19,20)11(21,22)12(23,24)25/h1,3-4H2,2H3

InChIKey

CDXFIRXEAJABAZ-UHFFFAOYSA-N

Canonic Smiles

O=C(C(=C)C)OCCC(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Isomeric Smiles

C(C(C(C(C(C(CCOC(=O)C(=C)C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

6.0363383

LogD (pH = 7.4)

6.0363383

Log P

6.0363383

Molar Refractivity

59.6595

Polarizability

22.774662

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate

IUPAC Traditional name

3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl 2-methylprop-2-enoate

Synonyms

1H,1H,2H,2H-Perfluorooctyl methacrylate1H,1H,2H,2H-Perfluorooctyl methacrylate 95%2-(Perfluorohexyl)ethyl methacrylate3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl 2-methylprop-2-enoate甲基丙烯酸 3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛酯1H,1H,2H,2H-perfluorooctyl methacrylate3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl methacrylate

Names and Identifiers

Registration numbers

PubChem CID

PubChem SID

CAS Number

MDL Number

EC Number