2-Fluoro-6-(trifluoromethyl)phenylboronic acid

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Product Information

Molecular Formula:
C7H5BF4O2
Molecular Weight:
207.92
Description
2-Fluoro-6-(trifluoromethyl)phenylboronic acid is a pharmacological compound used primarily in the construction of various drug molecules. It plays a significant role in cancer research, helping synthesize drugs aimed at treating various malignancies.
Synonyms
[2-Fluoro-6-(trifluoromethyl)phenyl]boronic acid; 2-Fluoro-6-(trifluoromethyl)phenylboronicacid; 2-Fluoro-6-(trifluoromethyl)benzeneboronic acid; 2-Fluoro-6-trifluoromethylphenylboronic acid; 2-Fluoro-6-(trifluoromethyl)phenylboron&; (2-fluoro-6-(trifluoromethyl)phenyl)boronic acid; 2-fluoro-6-trifluoromethylphenyl boronic acid
IUPAC Name
[2-fluoro-6-(trifluoromethyl)phenyl]boronic acid
Canonical SMILES
B(C1=C(C=CC=C1F)C(F)(F)F)(O)O
InChI
InChI=1S/C7H5BF4O2/c9-5-3-1-2-4(7(10,11)12)6(5)8(13)14/h1-3,13-14H
InChI Key
TXBRJTKFAYXKMV-UHFFFAOYSA-N
Melting Point
115-119 °C

Computed Properties

Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
6
Rotatable Bond Count
1
Exact Mass
208.0318722 g/mol
Monoisotopic Mass
208.0318722 g/mol
Topological Polar Surface Area
40.5Ų
Heavy Atom Count
14
Formal Charge
0
Complexity
197
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
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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