chempirical

2'-Fluoro-5'-(trifluoromethyl)acetophenone

C9H6F4OCAS 202664-53-7206.14 g/mol

Open in Covalent MOL file
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Alkyl halideAryl halideKetone

Properties

Molecular formula
C9H6F4O
Molar mass
206.14 g/mol
Exact mass
206.0355 Da
logP
3.05Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
1

Identifiers

CAS number
202664-53-7
SMILES
CC(=O)C1=C(C=CC(=C1)C(F)(F)F)F
InChIKey
PYEGOARCMCIYCW-UHFFFAOYSA-N
InChI
InChI=1S/C9H6F4O/c1-5(14)7-4-6(9(11,12)13)2-3-8(7)10/h2-4H,1H3

Weigh it out

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

Work with 2'-Fluoro-5'-(trifluoromethyl)acetophenone

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-(2,5-Difluorophenyl)ethanone1979-36-860 % similar 1-(5-Bromo-2-fluorophenyl)ethanone198477-89-357 % similar 3′-(Trifluoromethyl)acetophenone349-76-857 % similar 2',4'-Difluoro-3'-(trifluoromethyl) acetophenone1202679-46-656 % similar 4-(Trifluoromethyl)acetophenone709-63-754 % similar 1-(2,4,5-Trifluorophenyl)ethanone129322-83-453 % similar 1,2-Difluoro-4-(trifluoromethyl)benzene32137-19-252 % similar 2′-Fluoroacetophenone445-27-251 % similar

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

Same formula

2-Fluoro-4-(trifluoromethyl)acetophenone122023-29-4 2'-Fluoro-6'-(trifluoromethyl)acetophenone174013-29-7 1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone202664-54-8 1-[2-Fluoro-3-(trifluoromethyl)phenyl]ethan-1-one207853-63-2 1-[4-Fluoro-2-(trifluoromethyl)phenyl]ethanone208173-21-1 4'-Fluoro-3'-(trifluoromethyl)acetophenone208173-24-4 1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethanone237761-81-8

Elsewhere

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