chempirical

4'-Fluoro-3'-(trifluoromethyl)acetophenone

C9H6F4OCAS 208173-24-4206.14 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
208173-24-4
SMILES
CC(=O)C1=CC(=C(C=C1)F)C(F)(F)F
InChIKey
SYFHRXQPXHETEF-UHFFFAOYSA-N
InChI
InChI=1S/C9H6F4O/c1-5(14)6-2-3-8(10)7(4-6)9(11,12)13/h2-4H,1H3

Weigh it out

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

Work with 4'-Fluoro-3'-(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

4'-Chloro-3'-(trifluoromethyl)acetophenone129825-11-265 % similar 1-(3,4-Difluorophenyl)ethanone369-33-564 % similar 3',5'-Difluoro-4'-(trifluoromethyl)acetophenone1189359-39-458 % similar 1-(3-Chloro-4-fluorophenyl)ethanone2923-66-257 % similar 4-(Trifluoromethyl)acetophenone709-63-754 % similar 1-(4-Fluoro-3-methoxyphenyl)ethanone64287-19-054 % similar 4-Fluoro-3-(trifluoromethyl)benzamide67515-57-554 % similar 1-[2-(Trifluoromethyl)phenyl]ethanone17408-14-953 % 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 2'-Fluoro-5'-(trifluoromethyl)acetophenone202664-53-7 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 1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethanone237761-81-8

Elsewhere

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