CAS 813-44-5|1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one|1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one|Bis(perfluoroisopropyl)ketone|2,4-Bis(trifluoromethyl)-1,...

General Information

Structure

Molecular Formula

C₇F₁₄O

Molecular Mass

366.0519448

Exact Mass

365.9725597

Charge

InChI

InChI=1S/C7F14O/c8-2(4(10,11)12,5(13,14)15)1(22)3(9,6(16,17)18)7(19,20)21

InChIKey

GRVMOMUDALILLH-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

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

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

4.650181

LogD (pH = 7.4)

4.650181

Log P

4.650181

Molar Refractivity

37.4354

Polarizability

14.331392

Polar Surface Area

17.07

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Bis(perfluoroisopropyl)ketone2,4-Bis(trifluoromethyl)-1,1,1,2,4,5,5,5-Octafluoropentan-3-oneBis(heptafluoroisopropyl)methanoneBis(perfluoroisopropyl)methanone 97%双(七氟异丙基)酮Bis(heptafluoroisopropyl)ketoneBis(perfluoroisopropyl) ketone2,4-Bis(trifluoromethyl)octafluoro-3-pentanone

IUPAC Traditional name

1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one

IUPAC name

1,1,1,2,4,5,5,5-octafluoro-2,4-bis(trifluoromethyl)pentan-3-one

Names and Identifiers

Registration numbers

MDL Number

MFCD00042087

CAS Number

813-44-5

PubChem SID

160973181