3-(2,2,2-Trifluoroethoxy)phenylboronic acid

Inquiry

Molecular Formula:

C8H8BF3O3

Molecular Weight:

219.95

Product Information

Molecular Formula:

C8H8BF3O3

Molecular Weight:

219.95

Description

3-(2,2,2-Trifluoroethoxy)phenylboronic acid is an important organic compound in the biomedical field. Its unique properties make it a valuable tool for drug discovery and development in cancer, diabetes and inflammation-related diseases.

Synonyms

[3-(2,2,2-trifluoroethoxy)phenyl]boronic acid; 3-(2,2,2-trifluoroethoxy)benzeneboronic acid, 97%; 3-trifluoroethoxyphenylboronic acid; 3-(Trifluoroethoxy)phenylboronicacid; 3-(2,2,2-Trifluoroethoxy)phenylboronicacid; FT-0656433; 3-(2,2,2-trifluoroethoxyl)phenylboronic acid; 3-(2,2,2-trifluoroethoxy)-phenylboronic acid

IUPAC Name

[3-(2,2,2-trifluoroethoxy)phenyl]boronic acid

Canonical SMILES

B(C1=CC(=CC=C1)OCC(F)(F)F)(O)O

InChI

InChI=1S/C8H8BF3O3/c10-8(11,12)5-15-7-3-1-2-6(4-7)9(13)14/h1-4,13-14H,5H2

InChI Key

SZLRKQKOUYNFDB-UHFFFAOYSA-N

Flash Point

Not applicable

Safety Information

Hazards

H317 - H319

Precautionary Statement

P280 - P305 + P351 + P338

Computed Properties

Hydrogen Bond Donor Count

Hydrogen Bond Acceptor Count

Rotatable Bond Count

Exact Mass

220.0518588 g/mol

Monoisotopic Mass

220.0518588 g/mol

Topological Polar Surface Area

49.7Å²

Heavy Atom Count

Formal Charge

Complexity

198

Isotope Atom Count

Defined Atom Stereocenter Count

Undefined Atom Stereocenter Count

Defined Bond Stereocenter Count

Undefined Bond Stereocenter Count

Covalently-Bonded Unit Count

Compound Is Canonicalized

Yes

Patents

Publication Number	Title	Priority Date
EP-3878891-A1	Dynamic covalent hydrogels, precursors thereof and uses thereof	2020-03-10
WO-2021180795-A1	Dynamic covalent hydrogels, precursors thereof and uses thereof	2020-03-10
US-10668067-B2	Pyridine sulfonamides	2016-07-20
US-2019167682-A1	Pyridine sulfonamides	2016-07-20
AU-2016226340-A1	Bicyclic ketone sulfonamide compounds	2015-03-02
AU-2016226340-B2	Bicyclic ketone sulfonamide compounds	2015-03-02
CA-2978569-A1	Bicyclic ketone sulfonamide compounds	2015-03-02
EP-3265465-A1	Bicyclic ketone sulfonamide compounds	2015-03-02
EP-3265465-B1	Bicyclic ketone sulfonamide compounds	2015-03-02
KR-20170134443-A	The bicyclic ketone sulfonamide compound	2015-03-02

The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

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The dilution calculator equation

Concentration _(start) × Volume _(start) = Concentration _(final) × Volume _(final)

This equation is commonly abbreviated as: C₁V₁ = C₂V₂

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