2-[(4-Fluorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C₁₃H₁₈BFO₂CAS 243145-83-7236.09 g/mol

Open in Covalent MOL file

Aryl halide Boronic ester

Properties

Molecular formula: C₁₃H₁₈BFO₂
Molar mass: 236.09 g/mol
Exact mass: 236.1384 Da
logP: 3.00Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

243145-83-7

SMILES

B1(OC(C(O1)(C)C)(C)C)CC2=CC=C(C=C2)F

InChIKey

RLTRQJNDILQGNA-UHFFFAOYSA-N

InChI

InChI=1S/C13H18BFO2/c1-12(2)13(3,4)17-14(16-12)9-10-5-7-11(15)8-6-10/h5-8H,9H2,1-4H3

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Names and synonyms

1 names

4-Fluorobenzylboronic acid pinacol ester

Work with 2-[(4-Fluorophenyl)methyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

4,4,5,5-Tetramethyl-2-(4-(trifluoromethyl)benzyl)-1,3,2-dioxaborolane475250-46-565 % similar Benzylboronic acid pinacol ester87100-28-565 % similar 2-(4-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane214360-58-455 % similar 1-(4-Fluorophenyl)-2-methyl-2-propylamine1200-27-742 % similar 1-Ethyl-4-fluorobenzene459-47-241 % similar 1,1′-Methylenebis[4-fluorobenzene]457-68-140 % similar 3-Fluoro-5-(tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine719268-92-540 % similar Bis[(pinacolato)boryl]methane78782-17-940 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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