CAS 1766-76-3|bis(pentafluorophenyl)methanol|Decafluorobenzhydrol|bis(pentafluorophenyl)methanol|Decafluorobenzhydrol 97%|Bis(pentafluorophenyl)methanol|十氟二苯甲醇|双(五氟苯基)甲醇|十甲基苯氟酸酯|...

General Information

Structure

Molecular Formula

C₁₃H₂F₁₀O

Molecular Mass

364.138412

Exact Mass

363.99459688

Charge

InChI

InChI=1S/C13H2F10O/c14-3-1(4(15)8(19)11(22)7(3)18)13(24)2-5(16)9(20)12(23)10(21)6(2)17/h13,24H

InChIKey

WRLLBTKDSCJOBL-UHFFFAOYSA-N

Canonic Smiles

OC(c1c(F)c(F)c(c(c1F)F)F)c1c(F)c(F)c(c(c1F)F)F

Isomeric Smiles

c1(c(c(c(c(c1F)F)F)F)F)C(O)c1c(c(c(c(c1F)F)F)F)F

Calculated Properties

JChem

Acid pKa

11.705573

H Acceptors

H Donor

LogD (pH = 5.5)

4.4171553

LogD (pH = 7.4)

4.4171343

Log P

4.4171557

Molar Refractivity

59.3207

Polarizability

21.02622

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

DecafluorobenzhydrolDecafluorobenzhydrol 97%Bis(pentafluorophenyl)methanol双(五氟苯基)甲醇2,3,4,5,6,2′,3′,4′,5′,6′-Decafluorobenzhydrol十甲基苯氟酸酯十氟二苯甲醇2,3,4,5,6,2′,3′,4′,5′,6′-DecafluorodiphenylcarbinolDecafluorobenzhydrolBis(pentafluorophenyl) carbinol

IUPAC name

bis(pentafluorophenyl)methanol

IUPAC Traditional name

bis(pentafluorophenyl)methanol

Names and Identifiers

Registration numbers

EC Number

217-185-0

PubChem SID

24851772160972166

Beilstein Number

2067248