CAS 77968-17-3|1,1,1,3,5,5,5-Heptafluoropentan-2,4-dione|1,1,1,3,5,5,5-heptafluoropentane-2,4-dione|1,1,1,3,5,5,5-heptafluoropentane-2,4-dione|3H-Perfluoroacetylacetone|1,1,1,3,5,5,5-heptafluoropent...

General Information

Structure

Molecular Formula

C₅HF₇O₂

Molecular Mass

226.0490624

Exact Mass

225.98647681

Charge

InChI

InChI=1S/C5HF7O2/c6-1(2(13)4(7,8)9)3(14)5(10,11)12/h1H

InChIKey

GRHYFDZMGZYXAP-UHFFFAOYSA-N

Canonic Smiles

FC(C(=O)C(F)(F)F)C(=O)C(F)(F)F

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

4.6843734

H Acceptors

H Donor

LogD (pH = 5.5)

1.8938127

LogD (pH = 7.4)

0.21631122

Log P

2.7687244

Molar Refractivity

27.7565

Polarizability

10.307249

Polar Surface Area

34.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

1,1,1,3,5,5,5-heptafluoropentane-2,4-dione

Synonyms

1,1,1,3,5,5,5-Heptafluoropentan-2,4-dione1,1,1,3,5,5,5-heptafluoropentane-2,4-dione3H-Perfluoroacetylacetone3H-Perfluoropentane-2,4-dione 97%1,1,1,3,5,5,5-七氟代戊烷-2,4-二酮1,1,1,3,5,5,5-Heptafluoroacetylacetone1,1,1,3,5,5,5-Heptafluoropentane-2,4-dione

IUPAC name

1,1,1,3,5,5,5-heptafluoropentane-2,4-dione

Names and Identifiers

Registration numbers

MDL Number

CAS Number

Beilstein Number

PubChem SID