4'-Fluorochalcone

C₁₅H₁₁FOCAS 399-10-0226.25 g/mol

Open in Covalent MOL file

Alkene Aryl halide Ketone

Properties

Molecular formula: C₁₅H₁₁FO
Molar mass: 226.25 g/mol
Exact mass: 226.0794 Da
logP: 3.72Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3
Double bonds: EE/Z, in SMILES order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers

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

Precautionary statements

P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, P362+P364

Identifiers

CAS number

399-10-0

SMILES

C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)F

InChIKey

VKNQSJQWRINEFS-IZZDOVSWSA-N

InChI

InChI=1S/C15H11FO/c16-14-9-7-13(8-10-14)15(17)11-6-12-4-2-1-3-5-12/h1-11H/b11-6+

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with 4'-Fluorochalcone

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

trans-Chalcone614-47-172 % similar Chalcone94-41-772 % similar 4′-Hydroxychalcone2657-25-265 % similar 4′-Methoxychalcone959-23-959 % similar 1,5-Diphenyl-2,4-pentadien-1-one614-57-356 % similar 4-Hydroxychalcone20426-12-456 % similar 4-Chlorochalcone956-04-756 % similar 1,4-Diphenyl-2-butene-1,4-dione4070-75-153 % similar

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

Same formula

4-Fluorochalcone1608-51-1

Elsewhere

PubChem CAS Common Chemistry NIST WebBook