CAS 1107-00-2|5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione|5-[2-(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dihyd...

General Information

Structure

Molecular Formula

C₁₉H₆F₆O₆

Molecular Mass

444.2377592

Exact Mass

444.00685723

Charge

InChI

InChI=1S/C19H6F6O6/c20-18(21,22)17(19(23,24)25,7-1-3-9-11(5-7)15(28)30-13(9)26)8-2-4-10-12(6-8)16(29)31-14(10)27/h1-6H

InChIKey

QHHKLPCQTTWFSS-UHFFFAOYSA-N

Canonic Smiles

O=C1OC(=O)c2c1cc(cc2)C(C(F)(F)F)(C(F)(F)F)c1ccc2c(c1)C(=O)OC2=O

Isomeric Smiles

C(C(C(F)(F)F)(c1cc2c(cc1)C(=O)OC2=O)c1cc2c(cc1)C(=O)OC2=O)(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.279636

LogD (pH = 7.4)

4.279636

Log P

4.279636

Molar Refractivity

99.7923

Polarizability

32.14135

Polar Surface Area

86.74

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

5-[2-(1,3-dioxo-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-benzofuran-1,3-dione

IUPAC name

5-[2-(1,3-dioxo-1,3-dihydro-2-benzofuran-5-yl)-1,1,1,3,3,3-hexafluoropropan-2-yl]-1,3-dihydro-2-benzofuran-1,3-dione

Synonyms

4,4'-(Hexafluoroisopropylidene)diphthalic anhydride5,5'-(1,1,1,3,3,3-Hexafluoropropane-2,2-diyl)bis(2-benzofuran-1,3-dione)2,2-Bis(1,3-dihydro-1,3-dioxobenzo[c]furan-5-yl)hexafluoropropane 99%4,4'-(Hexafluoroisopropylidene)diphthalic anhydride4,4′-(Hexafluoroisopropylidene)diphthalic anhydride4,4-六氟异丙基邻苯二甲酸酐4,4′-(六氟异丙烯)二酞酸酐4,4'-(Hexafluoroisopropylidene)diphthalic anhydride

Names and Identifiers

Registration numbers

CAS Number

MDL Number

EC Number

Beilstein Number

PubChem SID