CAS 918-21-8|1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diol|1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diol|Hexafluoro-2,3-bis(trifluoromethyl)-2,3-butanediol|2,3-Bis(...

General Information

Structure

Molecular Formula

C₆H₂F₁₂O₂

Molecular Mass

334.0597184

Exact Mass

333.98631794

Charge

InChI

InChI=1S/C6H2F12O2/c7-3(8,9)1(19,4(10,11)12)2(20,5(13,14)15)6(16,17)18/h19-20H

InChIKey

GKDCWKGUOZVDFX-UHFFFAOYSA-N

Canonic Smiles

OC(C(C(F)(F)F)(C(F)(F)F)O)(C(F)(F)F)C(F)(F)F

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

6.3349586

H Acceptors

H Donor

LogD (pH = 5.5)

2.5192068

LogD (pH = 7.4)

1.3132641

Log P

2.5787776

Molar Refractivity

35.4736

Polarizability

13.63436

Polar Surface Area

40.46

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diol

IUPAC Traditional name

1,1,1,4,4,4-hexafluoro-2,3-bis(trifluoromethyl)butane-2,3-diol

Synonyms

Hexafluoro-2,3-bis(trifluoromethyl)-2,3-butanediol2,3-Bis(trifluoromethyl)-1,1,1,4,4,4-hexafluorobutane-2,3-diolPerfluoropinacol2,3-Bis(trifluoromethyl)-2,3-dihydroxy-1,1,1,4,4,4-hexafluorobutaneHexafluoro-2,3-bis(trifluoromethyl)-2,3-butanediol全氟频哪醇六氟-2,3-双(三氟甲基)-2,3-丁二醇

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem CID

PubChem SID

Registration numbers

Properties