chempirical

trans-2-(4-Fluorophenyl)vinylboronic acid

C8H8BFO2CAS 214907-24-1165.96 g/mol

Open in Covalent MOL file
BFHOHO
AlkeneAryl halideBoronic acid

Properties

Molecular formula
C8H8BFO2
Molar mass
165.96 g/mol
Exact mass
166.0601 Da
logP
0.85Crippen estimate
Polar surface area
40.5 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
2
Double bonds
EE/Z, in SMILES order

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
214907-24-1
SMILES
B(/C=C/C1=CC=C(C=C1)F)(O)O
InChIKey
GBNJRIQSFJFDII-AATRIKPKSA-N
InChI
InChI=1S/C8H8BFO2/c10-8-3-1-7(2-4-8)5-6-9(11)12/h1-6,11-12H/b6-5+

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Work with trans-2-(4-Fluorophenyl)vinylboronic acid

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

Styrylboronic acid6783-05-759 % similar trans-2-(4-Chlorophenyl)vinylboronic acid154230-29-259 % similar 3-(4-Fluorophenyl)-2-propenal24654-55-545 % similar trans-4-Fluorocinnamic acid14290-86-944 % similar 3-(4-Fluorophenyl)-2-propenoic acid459-32-544 % similar 4-Fluorocinnamonitrile24654-48-644 % similar [C(Z)]-4-Fluorobenzaldehyde oxime588-95-442 % similar (4-Fluorophenyl)boronic acid1765-93-141 % similar

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

Elsewhere

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