Cyclopropyl 2-fluorobenzyl ketone

C₁₁H₁₁FOCAS 150322-73-9178.21 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₁₁H₁₁FO
Molar mass: 178.21 g/mol
Exact mass: 178.0794 Da
logP: 2.35Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 3

Hazards

Danger

H315 Causes skin irritation50% of notifiers
H317 May cause an allergic skin reaction50% of notifiers
H319 Causes serious eye irritation100% of notifiers
H334 May cause allergy or asthma symptoms or breathing difficulties if inhaled50% of notifiers
H335 May cause respiratory irritation50% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P233, P260, P261, P264, P264+P265, P271, P272, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, P501

Identifiers

CAS number

150322-73-9

SMILES

C1CC1C(=O)CC2=CC=CC=C2F

InChIKey

DWBGTJUQWKWYGB-UHFFFAOYSA-N

InChI

InChI=1S/C11H11FO/c12-10-4-2-1-3-9(10)7-11(13)8-5-6-8/h1-4,8H,5-7H2

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Names and synonyms

1 names

1-Cyclopropyl-2-(2-fluorophenyl)ethanone

Work with Cyclopropyl 2-fluorobenzyl ketone

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-(2-Fluorophenyl)-2-propanone2836-82-054 % similar 2-Fluorobenzeneacetyl chloride451-81-054 % similar (2-Fluorophenyl)acetic acid451-82-154 % similar Methyl 2-fluorophenylacetate57486-67-650 % similar Ethyl 2-fluorophenylacetate584-74-748 % similar 2-Bromo-1-cyclopropyl-2-(2-fluorophenyl)ethanone204205-33-444 % similar 3-(2-Fluorophenyl)propionic acid1643-26-144 % similar 2-Fluoro-L-phenylalanine19883-78-443 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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