chempirical

3',5'-Difluoroacetophenone

C8H6F2OCAS 123577-99-1156.13 g/mol

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Aryl halideKetone

Properties

Molecular formula
C8H6F2O
Molar mass
156.13 g/mol
Exact mass
156.0387 Da
logP
2.17Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

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 3,5-Difluorobenzamide132980-99-552 % similar 1-(3,5-Dibromophenyl)ethanone14401-73-152 % similar 1,4-Diacetylbenzene1009-61-650 % 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 1-(2,5-Difluorophenyl)ethanone1979-36-8 1-(2,4-Difluorophenyl)ethanone364-83-0 1-(3,4-Difluorophenyl)ethanone369-33-5

Elsewhere

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