CAS 1095-77-8|1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene|2,2-Bis(4-methylphenyl)hexafluoropropane|1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenze...

General Information

Structure

Molecular Formula

C₁₇H₁₄F₆

Molecular Mass

332.2834792

Exact Mass

332.09996977

Charge

InChI

InChI=1S/C17H14F6/c1-11-3-7-13(8-4-11)15(16(18,19)20,17(21,22)23)14-9-5-12(2)6-10-14/h3-10H,1-2H3

InChIKey

OWEIAGSMFHSSES-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

c1cc(ccc1C(c1ccc(cc1)C)(C(F)(F)F)C(F)(F)F)C

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

6.407803

LogD (pH = 7.4)

6.407803

Log P

6.407803

Molar Refractivity

87.2607

Polarizability

27.45441

Polar Surface Area

0.0

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

Synonyms

2,2-Bis(4-methylphenyl)hexafluoropropane2,2-二(对甲苯基)-1,1,1,3,3,3-三氟丙烷2,2-Di(p-tolyl)-1,1,1,3,3,3-trifluoropropane1,1,1,3,3,3-六氟-2,2-双(4-甲基苯基)丙烷六氟-2,2-双(4-甲基苯基)丙烷2,2-Bis(4-methylphenyl)hexafluoropropane 98%Hexafluoro-2,2-bis(4-methylphenyl)propane1,1,1,3,3,3-Hexafluoro-2,2-bis(4-methylphenyl)propane

IUPAC name

1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene

IUPAC Traditional name

1-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]-4-methylbenzene

Names and Identifiers

Registration numbers

PubChem CID

621931

CAS Number

1095-77-8

MDL Number

MFCD00042597