CAS 17527-29-6|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl prop-2-enoate|1H,1H,2H,2H-Perfluorooctyl acrylate|3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl prop-2-enoate|3,3,4,4,5,5,6,6,7,7,8,8,8-Tri...

General Information

Structure

Molecular Formula

C₁₁H₇F₁₃O₂

Molecular Mass

418.1513216

Exact Mass

418.02384632

Charge

InChI

InChI=1S/C11H7F13O2/c1-2-5(25)26-4-3-6(12,13)7(14,15)8(16,17)9(18,19)10(20,21)11(22,23)24/h2H,1,3-4H2

InChIKey

VPKQPPJQTZJZDB-UHFFFAOYSA-N

Canonic Smiles

C=CC(=O)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)(F)F)(F)F)(F)F)(F)F)(F)F)(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.6407876

LogD (pH = 7.4)

5.6407876

Log P

5.6407876

Molar Refractivity

55.3024

Polarizability

21.125418

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 Traditional name

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

Synonyms

1H,1H,2H,2H-Perfluorooctyl acrylate3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl prop-2-enoate2-(Perfluorohex-1-yl)ethyl acrylate3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluorooctyl acrylateTFOA3,3,4,4,5,5,6,6,7,7,8,8,8-十三氟辛基丙烯酸酯1H,1H,2H,2H-perfluorooctyl acrylate

IUPAC name

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

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

EC Number