CAS 24407-09-8|4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl prop-2-enoate|4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-2-hydroxy-10-(trifluoromethyl...

General Information

Structure

Molecular Formula

C₁₅H₉F₁₉O₃

Molecular Mass

598.1998208

Exact Mass

598.02483033

Charge

InChI

InChI=1S/C15H9F19O3/c1-2-6(36)37-4-5(35)3-7(16,17)9(19,20)11(23,24)13(27,28)12(25,26)10(21,22)8(18,14(29,30)31)15(32,33)34/h2,5,35H,1,3-4H2

InChIKey

VAHMONSDBBIGFL-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

FC(C(F)(C(F)(F)C(C(C(CC(COC(=O)C=C)O)(F)F)(F)F)(F)F)F)(F)C(C(F)(F)F)(F)C(F)(F)F

Calculated Properties

JChem

Acid pKa

14.232143

H Acceptors

H Donor

LogD (pH = 5.5)

6.850717

LogD (pH = 7.4)

6.850717

Log P

6.850717

Molar Refractivity

75.543

Polarizability

29.210632

Polar Surface Area

46.53

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl prop-2-enoate

Synonyms

4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undec-1-yl acrylate3-(Perfluoro-7-methyloct-1yl)-2-hydroxypropyl acrylate4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-Hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undec-1-yl prop-2-enoate

IUPAC name

4,4,5,5,6,6,7,7,8,8,9,9,10,11,11,11-hexadecafluoro-2-hydroxy-10-(trifluoromethyl)undecyl prop-2-enoate

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID