CAS 2010-61-9|Hexafluoro-2-(p-tolyl)isopropanol|1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-ol|1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-ol|alpha,alpha-Bis(trifluoromethyl)-4-methylben...

General Information

Structure

Molecular Formula

C₁₀H₈F₆O

Molecular Mass

258.1603392

Exact Mass

258.0479342

Charge

InChI

InChI=1S/C10H8F6O/c1-6-2-4-7(5-3-6)8(17,9(11,12)13)10(14,15)16/h2-5,17H,1H3

InChIKey

AOAVZPXKNQAALI-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

c1c(ccc(c1)C(C(F)(F)F)(C(F)(F)F)O)C

Calculated Properties

JChem

Acid pKa

7.4500647

H Acceptors

H Donor

LogD (pH = 5.5)

3.6082056

LogD (pH = 7.4)

3.3367145

Log P

3.6130457

Molar Refractivity

48.3751

Polarizability

17.372229

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

Hexafluoro-2-(p-tolyl)isopropanolalpha,alpha-Bis(trifluoromethyl)-4-methylbenzyl alcohol1,1,1,3,3,3-Hexafluoro-2-(4-methylphenyl)propan-2-ol 94%1-Methyl-4-[perfluoro(2-hydroxyprop-2-yl)]benzene4-(1,1,1,3,3,3-Hexafluoro-2-hydroxyprop-2-yl)toluene六氟-2-(邻苯甲基)-2-丙醇Hexafluoro-2-(p-tolyl)-2-propanol

IUPAC name

1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-ol

IUPAC Traditional name

1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-ol

Names and Identifiers

Registration numbers

MDL Number

MFCD00015357

CAS Number

2010-61-9

EC Number

217-928-9