CAS 10531-50-7|R-(-)-1-Phenyl-2,2,2-trifluoroethanol|(1R)-2,2,2-trifluoro-1-phenylethan-1-ol|(1R)-2,2,2-trifluoro-1-phenylethanol|(R)-(-)-alpha-(Trifluoromethyl)benzyl alcohol|(R)-(-)-1-苯基-2,2,2-三...

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/t7-/m1/s1

InChIKey

VNOMEAQPOMDWSR-SSDOTTSWSA-N

Canonic Smiles

O[C@@H](C(F)(F)F)c1ccccc1

Isomeric Smiles

FC([C@@H](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

Synonyms

R-(-)-1-Phenyl-2,2,2-trifluoroethanol(R)-(-)-alpha-(Trifluoromethyl)benzyl alcohol(R)-(-)-1-苯基-2,2,2-三氟乙醇(-)-Phenyl(trifluoromethyl)carbinol(1R)-2,2,2-trifluoro-1-phenylethan-1-ol(-)-苯基(三氟甲基)甲醇(R)-(-)-α-(三氟甲基)苄醇(R)-(-)-1-Phenyl-2,2,2-trifluoroethanol(R)-(-)-α-(Trifluoromethyl)benzyl alcohol

IUPAC name

(1R)-2,2,2-trifluoro-1-phenylethan-1-ol

IUPAC Traditional name

(1R)-2,2,2-trifluoro-1-phenylethanol

Names and Identifiers

Registration numbers

Beilstein Number

2413959

EC Number

234-094-1

MDL Number

MFCD00077844