CAS 718-64-9|1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-ol 97%|alpha,alpha-Bis(trifluoromethyl)benzyl alcohol, [Perfluoro(2-hydroxyprop-2-yl)]benzene|1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol|Bis(trif...

General Information

Structure

Molecular Formula

C₉H₆F₆O

Molecular Mass

244.1337592

Exact Mass

244.03228413

Charge

InChI

InChI=1S/C9H6F6O/c10-8(11,12)7(16,9(13,14)15)6-4-2-1-3-5-6/h1-5,16H

InChIKey

IZPIZCAYJQCTNG-UHFFFAOYSA-N

Canonic Smiles

OC(C(F)(F)F)(C(F)(F)F)c1ccccc1

Isomeric Smiles

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

Calculated Properties

JChem

Acid pKa

7.4237022

H Acceptors

H Donor

LogD (pH = 5.5)

3.0944831

LogD (pH = 7.4)

2.8106956

Log P

3.0996244

Molar Refractivity

43.3339

Polarizability

15.698849

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

Synonyms

1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-ol 97%alpha,alpha-Bis(trifluoromethyl)benzyl alcohol, [Perfluoro(2-hydroxyprop-2-yl)]benzeneBis(trifluoromethyl)phenylcarbinol(Hexafluoro-2-hydroxyisopropyl)benzeneα,α-双(三氟甲基)苄醇1,1,1,3,3,3-六氟-2-苯基-2-丙醇1,1,1,3,3,3-Hexafluoro-2-phenyl-2-propanolα,α-Bis(trifluoromethyl)benzyl alcoholHexafluorocumyl alcoholalpha,alpha-Bis(trifluoromethyl)benzyl alcohol1,1,1,3,3,3-Hexafluoro-2-phenylpropan-2-ol1,1,1,3,3,3-六氟代-2-苯基-2-丙醇

IUPAC name

1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol

IUPAC Traditional name

1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol

Names and Identifiers

Registration numbers

EC Number

MDL Number

PubChem SID

CAS Number

PubChem CID

Beilstein Number

Registration numbers

Properties

Related Proteins

No Data Available

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Molecular Spectra

No Data Available

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Molecule Details

Apollo Scientific

PC4666

Under Mitsunobu conditions primary and secondary alcohols can be protected as hexafluorophenylisopropyl(HIP) ethers: J. Am. Chem. Soc., 116, 8354 (1994).

Sigma Aldrich

107565

Packaging
10 g in glass bottle

Molecule Details

References

PubChem Literature

From Data Sources

• Protection of primary and secondary alcohols as hexafluorophenylisopropyl (HIP) ethers can be effected under Mitsunobu conditions. The HIP group shows outstanding chemical resistance under a wide pH range and also in the presence of nucleophiles, organometallic reagents, oxidants, reducing agents and Lewis acids. Selective deprotection with Li naphthalenide is effective, even at -78^o: J. Am. Chem. Soc., 116, 8354 (1994).

References

Bioactivity

PubChem BioAssay

Bioactivity

Names and Identifiers

Synonyms

IUPAC name

1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol

IUPAC Traditional name

1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-ol

Registration numbers

EC Number

MDL Number

PubChem SID

CAS Number

PubChem CID

Beilstein Number

Molecule Details

PC4666

Under Mitsunobu conditions primary and secondary alcohols can be protected as hexafluorophenylisopropyl(HIP) ethers: J. Am. Chem. Soc., 116, 8354 (1994).

Sigma Aldrich

107565

Packaging
10 g in glass bottle

References

PubChem Literature

From Data Sources

Bioactivity

PubChem BioAssay

Properties

Molecule

ID:9555