CAS 1522-22-1|hexafluoroacetylacetone|1,1,1,5,5,5-hexafluoropentane-2,4-dione|1,1,1,5,5,5-Hexafluoro-2,4-pentanedione|HFAA|3H,3H-Hexafluoropentane-2,4-dione|2,4-Dioxo-1,1,1,5,5,5-hexafluoropentane|1...

General Information

Structure

Molecular Formula

C₅H₂F₆O₂

Molecular Mass

208.0585992

Exact Mass

207.99589862

Charge

InChI

InChI=1S/C5H2F6O2/c6-4(7,8)2(12)1-3(13)5(9,10)11/h1H2

InChIKey

QAMFBRUWYYMMGJ-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

5.79265

H Acceptors

H Donor

LogD (pH = 5.5)

2.4140334

LogD (pH = 7.4)

0.98620445

Log P

2.592791

Molar Refractivity

28.1104

Polarizability

10.1684065

Polar Surface Area

34.14

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1,1,1,5,5,5-Hexafluoro-2,4-pentanedione3H,3H-Hexafluoropentane-2,4-dione2,4-Dioxo-1,1,1,5,5,5-hexafluoropentaneHFAA1,1,1-Trifluoro-3-(trifluoroacetyl)acetone1,1,1,5,5,5-Hexafluoropentane-2,4-dioneHexafluoroacetylacetoneHEXAFLUOROACETYLACETONEHfacH1,1,1,5,5,5-Hexafluoroacetylacetone1,1,1,5,5,5-六氟乙酰丙酮Hexafluoroacetylacetone1,1,1,5,5,5-六氟-2,4-戊二酮六氟乙酰丙酮1,1,1,5,5,5-Hexafluoro-2,4-pentanedione1,1,1,5,5,5-hexafluoropentane-2,4-dione1,1,1,5,5,5-六氟代-乙酰丙酮1,1,1,5,5,5-Hexafluoro-2,4-pentanedione

IUPAC name

1,1,1,5,5,5-hexafluoropentane-2,4-dione

IUPAC Traditional name

hexafluoroacetylacetone

Names and Identifiers

Registration numbers

EC Number

216-191-0

CAS Number

1522-22-1

PubChem CID

2487446273706