chempirical

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

C12H19BF2O2CAS 1227068-84-9244.09 g/mol

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BOOFF
AlkeneAlkyl halideBoronic 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 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
1

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

1-Benzyl-1,2,3,6-tetrahydropyridine-4-boronic acid pinacol ester1048976-83-539 % 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 Phenylmethyl 3,6-dihydro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1(2H)-pyridinecarboxylate286961-15-734 % similar tert-Butyl 5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydropyridine-1(2H)-carboxylate1121057-77-933 % similar Isopropenylboronic acid pinacol ester126726-62-332 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

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