2',3'-Difluoroacetophenone

C₈H₆F₂OCAS 18355-80-1156.13 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₈H₆F₂O
Molar mass: 156.13 g/mol
Exact mass: 156.0387 Da
logP: 2.17Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed14.3% of notifiers
H315 Causes skin irritation85.7% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H319 Causes serious eye irritation85.7% of notifiers
H335 May cause respiratory irritation85.7% of notifiers

Aggregated from 7 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, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

18355-80-1

SMILES

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

InChIKey

PQUXFUBNSYCQAL-UHFFFAOYSA-N

InChI

InChI=1S/C8H6F2O/c1-5(11)6-3-2-4-7(9)8(6)10/h2-4H,1H3

Weigh it out

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

Work with 2',3'-Difluoroacetophenone

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-(2,3,4-Trifluorophenyl)ethan-1-one243448-15-970 % similar 2′-Fluoroacetophenone445-27-269 % similar 1-(3-Chloro-2-fluorophenyl)ethan-1-one161957-59-166 % similar 1-(3-Bromo-2-fluorophenyl)ethanone161957-61-566 % similar 1-(3-Fluoro-2-hydroxyphenyl)ethanone699-92-364 % similar 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one207853-63-260 % similar 2,3-Difluorobenzoyl chloride18355-73-258 % similar 2,3-Difluorobenzoic acid4519-39-558 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2S)-2-(3,4-Difluorophenyl)oxirane1006376-63-1 3',5'-Difluoroacetophenone123577-99-1 1-(2,6-Difluorophenyl)ethanone13670-99-0 5,7-Difluoro-2,3-dihydrobenzofuran175203-20-0 1-(2,5-Difluorophenyl)ethanone1979-36-8 2,3-Difluoro-4-methylbenzaldehyde245536-50-9 1-(2,4-Difluorophenyl)ethanone364-83-0 1-(3,4-Difluorophenyl)ethanone369-33-5

Elsewhere

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