CAS 2993-85-3|2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl prop-2-enoate|1H,1H,7H-Dodecafluoroheptyl acrylate|2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl prop-2-enoate|Acrylic acid 1H,1H,7H-dodecafluor...

General Information

Structure

Molecular Formula

C₁₀H₆F₁₂O₂

Molecular Mass

386.1342784

Exact Mass

386.01761807

Charge

InChI

InChI=1S/C10H6F12O2/c1-2-4(23)24-3-6(13,14)8(17,18)10(21,22)9(19,20)7(15,16)5(11)12/h2,5H,1,3H2

InChIKey

QJEJDNMGOWJONG-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

C(C(C(C(C(C(COC(=O)C=C)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F

Calculated Properties

JChem

Acid pKa

19.78678

H Acceptors

H Donor

LogD (pH = 5.5)

4.881724

LogD (pH = 7.4)

4.881724

Log P

4.881724

Molar Refractivity

49.9609

Polarizability

19.355474

Polar Surface Area

26.3

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC name

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl prop-2-enoate

Synonyms

1H,1H,7H-Dodecafluoroheptyl acrylateAcrylic acid 1H,1H,7H-dodecafluoroheptyl esterDFHA1H,1H,7H-十二氟庚基丙烯酸酯1H,1H,7H-Perfluoroheptyl acrylate 98%2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl acrylate1H,1H,7H-Dodecafluoroheptyl acrylate2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoroheptyl acrylate

IUPAC Traditional name

2,2,3,3,4,4,5,5,6,6,7,7-dodecafluoroheptyl prop-2-enoate

Names and Identifiers

Registration numbers

EC Number

MDL Number

CAS Number

Beilstein Number