2-Fluoro-4-(trifluoromethyl)acetophenone

C9H6F4OCAS 122023-29-4206.14 g/mol

Open in Covalent MOL file
OFFFF
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

Hazards

Warning
Irritant (GHS07)

Aggregated from 7 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
122023-29-4
SMILES
CC(=O)C1=C(C=C(C=C1)C(F)(F)F)F
InChIKey
OLDXVWXLMGJVPH-UHFFFAOYSA-N
InChI
InChI=1S/C9H6F4O/c1-5(14)7-3-2-6(4-8(7)10)9(11,12)13/h2-4H,1H3

Weigh it out

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

Names and synonyms

1 names
  • 2'-Fluoro-4'-(trifluoromethyl)acetophenone

Work with 2-Fluoro-4-(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

2-Fluoro-4-(trifluoromethyl)benzamide207853-64-364 % similar 2-Fluoro-4-(trifluoromethyl)benzoic acid115029-24-862 % similar 2-Fluoro-4-(trifluoromethyl)benzoyl chloride126917-10-062 % similar 2'-Fluoro-4'-(trifluoromethyl)propiophenone208173-16-462 % similar 2'-Chloro-5'-(trifluoromethyl)acetophenone71648-45-861 % similar 1-(2,4-Difluorophenyl)ethanone364-83-060 % similar [2-Fluoro-4-(trifluoromethyl)phenyl]phenylmethanone207974-08-159 % similar 1-(4-Chloro-2-fluorophenyl)ethanone175711-83-857 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

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 4'-Fluoro-2'-(trifluoromethyl)acetophenone208173-21-1 4'-Fluoro-3'-(trifluoromethyl)acetophenone208173-24-4 1-[3-Fluoro-4-(trifluoromethyl)phenyl]ethanone237761-81-8

Elsewhere

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