CAS 1992-15-0|2,2'-(Benzene-1,4-diyl)bis(1,1,1,3,3,3-hexafluoropropan-2-ol) 97%|1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol|1,4-Bis[perfluoro(2-hydrox...

General Information

Structure

Molecular Formula

C₁₂H₆F₁₂O₂

Molecular Mass

410.1556784

Exact Mass

410.01761807

Charge

InChI

InChI=1S/C12H6F12O2/c13-9(14,15)7(25,10(16,17)18)5-1-2-6(4-3-5)8(26,11(19,20)21)12(22,23)24/h1-4,25-26H

InChIKey

YTJDSANDEZLYOU-UHFFFAOYSA-N

Canonic Smiles

OC(C(F)(F)F)(C(F)(F)F)c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O

Isomeric Smiles

FC(F)(F)C(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)(C(F)(F)F)O

Calculated Properties

JChem

Acid pKa

7.107644

H Acceptors

H Donor

LogD (pH = 5.5)

4.2153616

LogD (pH = 7.4)

3.6351616

Log P

4.2260027

Molar Refractivity

60.6098

Polarizability

21.973614

Polar Surface Area

40.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2,2'-(Benzene-1,4-diyl)bis(1,1,1,3,3,3-hexafluoropropan-2-ol) 97%1,4-Bis[perfluoro(2-hydroxyprop-2-yl)]benzene1,4-Bis(1,1,1,3,3,3-hexafluoro-2-hydroxyprop-2-yl)benzeneα,α,α′,α′-四(三氟甲基)-1,4-苯二甲醇α,α,α′,α′-Tetrakis(trifluoromethyl)-1,4-benzenedimethanol1,4-双(2-羟基六氟异丙基)苯1,4-Bis(2-hydroxyhexafluoroisopropyl)benzene1,4-Bis(1,1,1,3,3,3-hexafluoro-2-hydroxypropyl)benzenealpha,alpha,alpha',alpha'-Tetrakis(trifluoromethyl)-1,4-benzenedimethanol

IUPAC Traditional name

1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol

IUPAC name

1,1,1,3,3,3-hexafluoro-2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]propan-2-ol

Names and Identifiers

Registration numbers

PubChem CID

631065

PubChem SID

16208075424868205

MDL Number

MFCD00042091