2-(4,4-Difluorocyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane

C₁₂H₁₉BF₂O₂CAS 1227068-84-9244.09 g/mol

Open in Covalent MOL file

Alkene Alkyl halide Boronic ester

Properties

Molecular formula: C₁₂H₁₉BF₂O₂
Molar mass: 244.09 g/mol
Exact mass: 244.1446 Da
logP: 3.36Crippen estimate
Polar surface area: 18.5 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 1

Hazards

Warning

H302 Harmful if swallowed100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 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

1227068-84-9

SMILES

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

InChIKey

WSLRIJFIFPFAFB-UHFFFAOYSA-N

InChI

InChI=1S/C12H19BF2O2/c1-10(2)11(3,4)17-13(16-10)9-5-7-12(14,15)8-6-9/h5H,6-8H2,1-4H3

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Work with 2-(4,4-Difluorocyclohex-1-en-1-yl)-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

8-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-1,4-dioxaspiro(4.5)dec-7-ene680596-79-661 % similar 2-(Cyclohex-1-en-1-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane141091-37-451 % similar 3,6-Dihydro-2H-pyran-4-boronic acid pinacol ester287944-16-550 % similar 1-Methyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester454482-11-246 % similar 1-Benzyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester1048976-83-539 % similar N-Boc-1,2,5,6-tetrahydropyridine-4-boronic acid pinacol ester286961-14-639 % similar 1,3,2-Dioxaborolane, 2,2′-[(1Z)-1-pentyl-1,2-ethenediyl]bis[4,4,5,5-tetramethyl-307531-74-439 % similar 4-(4,4,5,5-Tetramethyl-(1,3,2)dioxaborolan-2-yl)cyclohex-3-ene-1-carboxylic acid ethyl ester1049004-32-138 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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