3',5'-Difluoroacetophenone

C₈H₆F₂OCAS 123577-99-1156.13 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

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

123577-99-1

SMILES

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

InChIKey

OXJLDNSPGPBDCP-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Work with 3',5'-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-(3-Chloro-5-fluorophenyl)ethanone842140-52-771 % similar 1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone202664-54-867 % similar 3′-Fluoroacetophenone455-36-767 % similar 1,1′,1′′-(1,3,5-Benzenetriyl)tris[ethanone]779-90-864 % similar 4′-Fluoroacetophenone403-42-962 % similar 3',4',5'-Trifluoroacetophenone220141-73-157 % similar 2',4',6'-Trifluoroacetophenone51788-77-357 % similar 3,5-Difluorobenzamide132980-99-552 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

(2S)-2-(3,4-Difluorophenyl)oxirane1006376-63-1 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 1-(3,4-Difluorophenyl)ethanone369-33-5

Elsewhere

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