CAS 84750-88-9|1,12-dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecanedioate|1,12-dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecanedioate|Dimethyl perflu...

General Information

Structure

Molecular Formula

C₁₄H₆F₂₀O₄

Molecular Mass

618.163104

Exact Mass

617.99467307

Charge

InChI

InChI=1S/C14H6F20O4/c1-37-3(35)5(15,16)7(19,20)9(23,24)11(27,28)13(31,32)14(33,34)12(29,30)10(25,26)8(21,22)6(17,18)4(36)38-2/h1-2H3

InChIKey

GHVIUCXUOSDTBP-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

C(=O)(C(C(C(C(C(C(C(C(C(C(C(=O)OC)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)OC

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

7.034464

LogD (pH = 7.4)

7.034464

Log P

7.034464

Molar Refractivity

70.6568

Polarizability

28.351791

Polar Surface Area

52.6

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

1,12-dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecanedioate

IUPAC Traditional name

1,12-dimethyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-icosafluorododecanedioate

Synonyms

Dimethyl perfluoro-1,10-decanedicarboxylateDimethyl perfluorodecane-1,10-dicarboxylate 96%Eicosafluorododecanedioic acid dimethyl ester全氟-1,10- 癸二酸二甲酯Perfluoro-1,10-decanedicarboxylic acid dimethyl esterDimethyl perfluoro-1,10-decanedicarboxylate

Names and Identifiers

Registration numbers

PubChem SID

PubChem CID

MDL Number

CAS Number

Registration numbers