1-(2,5-Difluorophenyl)ethanone

C₈H₆F₂OCAS 1979-36-8156.13 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
Density: 1.2099 g/mL (at 22 °C)
Boiling point: 61 °C (at 5 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 47 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

1979-36-8

SMILES

CC(=O)c1cc(F)ccc1F

InChIKey

HLAFIZUVVWJAKL-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Ethanone, 1-(2,5-difluorophenyl)-
Acetophenone, 2′,5′-difluoro-
2′,5′-Difluoroacetophenone
2,5-Difluorophenyl methyl ketone
1-(2,5-Difluorophenyl)ethan-1-one

Work with 1-(2,5-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

2'-Fluoro-5'-methylacetophenone446-07-166 % similar 1-(2-Bromo-5-fluorophenyl)ethanone1006-33-364 % similar 1-(5-Bromo-2-fluorophenyl)ethanone198477-89-364 % similar 2-Amino-5-fluoroacetophenone2343-25-164 % similar 2'-Chloro-5'-fluoroacetophenone2965-16-464 % similar 5′-Fluoro-2′-hydroxyacetophenone394-32-164 % similar 1-(5-Fluoro-2-iodophenyl)ethanone914225-70-064 % similar 2′,4′,5′-Trifluoroacetophenone129322-83-460 % 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 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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