3-(2,2,2-trifluoroethoxy)phenylboronic acid
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)PHENYLBORONIC ACID
IUPAC Name
[3-(2,2,2-trifluoroethoxy)phenyl]boronic acid
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
Purity
97%
Safety Information
Hazards
H317 - H319
Precautionary Statement
P280 - P305 + P351 + P338
Computed Properties
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
3
Exact Mass
220.0518588 g/mol
Monoisotopic Mass
220.0518588 g/mol
Topological Polar Surface Area
49.7Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
198
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
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 |
