CAS 662-22-6|3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid|Perfluoro-2-hydroxy-2-methylpropanoic acid 95%|2,2-Bis(trifluoromethyl)glycolic acid|2,2-Bis(trifluoromethyl)(hydroxy)acetic ...

General Information

Structure

Molecular Formula

C₄H₂F₆O₃

Molecular Mass

212.0472992

Exact Mass

211.99081324

Charge

InChI

InChI=1S/C4H2F6O3/c5-3(6,7)2(13,1(11)12)4(8,9)10/h13H,(H,11,12)

InChIKey

CMQUGOHGJUTDGZ-UHFFFAOYSA-N

Canonic Smiles

OC(=O)C(C(F)(F)F)(C(F)(F)F)O

Isomeric Smiles

O=C(C(C(F)(F)F)(C(F)(F)F)O)O

Calculated Properties

JChem

Acid pKa

1.8498962

H Acceptors

H Donor

LogD (pH = 5.5)

-2.1334836

LogD (pH = 7.4)

-2.7050211

Log P

1.1575129

Molar Refractivity

24.9561

Polarizability

9.671588

Polar Surface Area

57.53

Rotatable Bonds

Lipinski's Rule of Five

true

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC Traditional name

3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid

Synonyms

Perfluoro-2-hydroxy-2-methylpropanoic acid 95%2,2-Bis(trifluoromethyl)glycolic acid2,2-Bis(trifluoromethyl)(hydroxy)acetic acid,2-Hydroxy- 3,3,3-Trifluoro-2-(trifluoromethyl)propanoic acid2,2-Bis(trifluoromethyl)-2-hydroxyacetic acid3,3,3-Trifluoro-2-hydroxy-2-(trifluoromethyl)propionic acid2-羟基-3,3,3-三氟-2-(三氟甲基)丙酸

IUPAC name

3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propanoic acid

Names and Identifiers

Registration numbers

CAS Number

MDL Number

PubChem CID

Beilstein Number