CAS 340-05-6|CAS 340-04-5|2,2,2-trifluoro-1-phenylethanol|1-Phenyl-2,2,2-trifluoroethanol|2,2,2-trifluoro-1-phenylethan-1-ol|1-Phenyl-2,2,2-trifluoroethanol 99%|α-(Trifluoromethyl)benzyl alcohol|α...

General Information

Structure

Molecular Formula

C₈H₇F₃O

Molecular Mass

176.1357896

Exact Mass

176.0448995

Charge

InChI

InChI=1S/C8H7F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7,12H

InChIKey

VNOMEAQPOMDWSR-UHFFFAOYSA-N

Canonic Smiles

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

Isomeric Smiles

FC(C(c1ccccc1)O)(F)F

Calculated Properties

JChem

Acid pKa

10.772759

H Acceptors

H Donor

LogD (pH = 5.5)

2.220757

LogD (pH = 7.4)

2.2205756

Log P

2.2207594

Molar Refractivity

37.9942

Polarizability

14.004337

Polar Surface Area

20.23

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Names and Identifiers

IUPAC Traditional name

2,2,2-trifluoro-1-phenylethanol

Synonyms

1-Phenyl-2,2,2-trifluoroethanol1-Phenyl-2,2,2-trifluoroethanol 99%α-(Trifluoromethyl)benzyl alcoholα-(三氟甲基)苄醇(±)-α-(三氟甲基)苄醇(±)-α-(Trifluoromethyl)benzyl alcohol(±)-1-Phenyl-2,2,2-trifluoroethanol(±)-1-苯基-2,2,2-三氟乙醇alpha-(Trifluoromethyl)benzyl alcohol1-Phenyl-2,2,2-trifluoroethanolPhenyl trifluoromethyl carbinol1-苯基-2,2,2-三氟乙醇

IUPAC name

2,2,2-trifluoro-1-phenylethan-1-ol

Names and Identifiers

Registration numbers

PubChem SID

1609703422485919324887428

MDL Number

MFCD00004498

PubChem CID

95556

CAS Number

340-05-6340-04-5