1-(2,6-Difluorophenyl)ethanone

C₈H₆F₂OCAS 13670-99-0156.13 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
Boiling point: 76–79 °C (at 15 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 irritation98% of notifiers

Aggregated from 49 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

13670-99-0

SMILES

CC(=O)c1c(F)cccc1F

InChIKey

VGIIILXIQLXVLC-UHFFFAOYSA-N

InChI

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

Weigh it out

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

Names and synonyms

5 names

Ethanone, 1-(2,6-difluorophenyl)-
Acetophenone, 2′,6′-difluoro-
2′,6′-Difluoroacetophenone
2,6-Difluoroacetophenone
1-(2,6-Difluorophenyl)ethan-1-one

Work with 1-(2,6-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'-Chloro-6'-fluoroacetophenone87327-69-375 % similar 1-(2-Bromo-6-fluorophenyl)ethanone928715-37-175 % similar 2'-Fluoro-6'-hydroxyacetophenone93339-98-172 % similar 2'-Fluoro-6'-(trifluoromethyl)acetophenone174013-29-768 % similar 1-(2,3,6-Trifluorophenyl)ethanone208173-22-264 % similar 2′-Fluoroacetophenone445-27-261 % similar 2',4',6'-Trifluoroacetophenone51788-77-361 % similar 3'-Chloro-2',6'-difluoroacetophenone177942-50-659 % 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 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

PubChem CAS Common Chemistry NIST WebBook