1-(3,4-Difluorophenyl)ethanone

C₈H₆F₂OCAS 369-33-5156.13 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
Melting point: 19.5–20 °C
Boiling point: 200–201 °C (at 734 Torr)
logP: 2.17Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

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

Identifiers

CAS number

369-33-5

SMILES

CC(=O)c1ccc(F)c(F)c1

InChIKey

VWJSSJFLXRMYNV-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

4 names

Ethanone, 1-(3,4-difluorophenyl)-
Acetophenone, 3′,4′-difluoro-
3′,4′-Difluoroacetophenone
1-(3,4-Difluorophenyl)ethan-1-one

Work with 1-(3,4-Difluorophenyl)ethanone

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

4-Fluoro-3-methylacetophenone369-32-470 % similar 1-(3-Fluoro-4-methoxyphenyl)ethanone455-91-469 % similar 1-(4-Fluoro-3-methoxyphenyl)ethanone64287-19-069 % similar 1-(3-Bromo-4-fluorophenyl)ethanone1007-15-468 % similar 4'-Chloro-3'-fluoroacetophenone151945-84-568 % similar 4-Fluoro-3-amino-acetophenone2002-82-668 % similar 3'-Chloro-4'-fluoroacetophenone2923-66-268 % similar 1-(4-Bromo-3-fluorophenyl)ethan-1-one304445-49-668 % 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 2',3'-Difluoroacetophenone18355-80-1 1-(2,5-Difluorophenyl)ethanone1979-36-8 2,3-Difluoro-4-methylbenzaldehyde245536-50-9 1-(2,4-Difluorophenyl)ethanone364-83-0

Elsewhere

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