CAS 262376-31-8|4,4,5,5-tetramethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane|4,4,5,5-tetramethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane|3-(Trifluoromethoxy)benzeneboronic acid,...

General Information

Structure

Molecular Formula

C₁₃H₁₆BF₃O₃

Molecular Mass

288.0705496

Exact Mass

288.11445943

Charge

InChI

InChI=1S/C13H16BF3O3/c1-11(2)12(3,4)20-14(19-11)9-6-5-7-10(8-9)18-13(15,16)17/h5-8H,1-4H3

InChIKey

BUSBFOTXIPZTDH-UHFFFAOYSA-N

Canonic Smiles

FC(Oc1cccc(c1)B1OC(C(O1)(C)C)(C)C)(F)F

Isomeric Smiles

O(c1cc(ccc1)B1OC(C(O1)(C)C)(C)C)C(F)(F)F

Calculated Properties

JChem

H Acceptors

H Donor

LogD (pH = 5.5)

5.5829

LogD (pH = 7.4)

5.5829

Log P

5.5829

Molar Refractivity

58.7834

Polarizability

25.811928

Polar Surface Area

27.69

Rotatable Bonds

Lipinski's Rule of Five

false

Data Source

Commercial Catalog

Academic Data

Data Source

Names and Identifiers

IUPAC name

4,4,5,5-tetramethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane

IUPAC Traditional name

4,4,5,5-tetramethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane

Synonyms

3-(Trifluoromethoxy)benzeneboronic acid, pinacol ester4,4,5,5-Tetramethyl-2-[3-(trifluoromethoxy)phenyl]-1,3,2-dioxaborolane, 3-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-alpha,alpha,alpha-trifluoroanisole4,4,5,5-TETRAMETHYL-2-(3-TRIFLUOROMETHOXYPHENYL)-1,3,2-DIOXABOROLANE

Names and Identifiers

Registration numbers

MDL Number

CAS Number

PubChem SID

PubChem CID

Registration numbers

Properties