2-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

C₁₂H₁₇BFNO₂CAS 819058-34-9237.08 g/mol

Open in Covalent MOL file

Aryl halide Boronic ester Primary amine

Properties

Molecular formula: C₁₂H₁₇BFNO₂
Molar mass: 237.08 g/mol
Exact mass: 237.1336 Da
logP: 1.71Crippen estimate
Polar surface area: 44.5 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation75% of notifiers
H319 Causes serious eye irritation75% of notifiers
H335 May cause respiratory irritation75% of notifiers

Aggregated from 4 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, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

819058-34-9

SMILES

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

InChIKey

AIXGNRNTXUKZLC-UHFFFAOYSA-N

InChI

InChI=1S/C12H17BFNO2/c1-11(2)12(3,4)17-13(16-11)8-5-6-10(15)9(14)7-8/h5-7H,15H2,1-4H3

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Names and synonyms

1 names

4-Amino-3-fluorophenylboronic acid, pinacol ester

Work with 2-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline

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

2-Fluoro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzonitrile870238-67-857 % similar 4,4,5,5-Tetramethyl-2-(3,4,5-trifluorophenyl)-1,3,2-dioxaborolane827614-70-057 % similar 2-Nitro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)aniline833486-94-556 % similar 3-Fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridin-2-amine944401-75-655 % similar 2,2'-(1,4-Phenylene)bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolane)99770-93-155 % similar 2-(4-Fluorophenyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane214360-58-454 % similar 4-(Tetramethyl-1,3,2-dioxaborolan-2-yl)aniline214360-73-354 % similar 4,4,5,5-Tetramethyl-2-[3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane196212-27-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3-Fluoro-4-(tetramethyl-1,3,2-dioxaborolan-2-yl)aniline819057-45-9

Elsewhere

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