1-[4-(Difluoromethoxy)phenyl]ethanone

C₉H₈F₂O₂CAS 83882-67-1186.16 g/mol

Open in Covalent MOL file

Alkyl halide Ether Ketone

Properties

Molecular formula: C₉H₈F₂O₂
Molar mass: 186.16 g/mol
Exact mass: 186.0492 Da
logP: 2.49Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 3

Identifiers

CAS number

83882-67-1

SMILES

CC(=O)c1ccc(OC(F)F)cc1

InChIKey

GIGWRVLNOYPOIT-UHFFFAOYSA-N

InChI

InChI=1S/C9H8F2O2/c1-6(12)7-2-4-8(5-3-7)13-9(10)11/h2-5,9H,1H3

Weigh it out

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

Names and synonyms

6 names

Ethanone, 1-[4-(difluoromethoxy)phenyl]-
4′-(Difluoromethoxy)acetophenone
4-Acetylphenyl difluoromethyl ether
4-Difluoromethoxyacetophenone
4-(Difluoromethoxy)phenyl methyl ketone
1-(4-(Difluoromethoxy)phenyl)ethan-1-one

Work with 1-[4-(Difluoromethoxy)phenyl]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

1,1′-(Oxydi-4,1-phenylene)bis[ethanone]2615-11-460 % similar 4-(Difluoromethoxy)benzoic acid4837-20-159 % similar Acetanisole100-06-156 % similar 1,4-Diacetylbenzene1009-61-656 % similar 4′-Fluoroacetophenone403-42-955 % similar 1-[4-(Trifluoromethoxy)phenyl]ethanone85013-98-554 % similar 1-[4-(Acetyloxy)phenyl]ethanone13031-43-153 % similar 1-(4-Phenoxyphenyl)ethanone5031-78-753 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

Ethyl 2,4-difluorobenzoate108928-00-3 Ethyl 3,4-difluorobenzoate144267-96-9

Elsewhere

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