chempirical

2-(Trifluoromethyl)propiophenone

C10H9F3OCAS 16185-96-9202.18 g/mol

Open in Covalent MOL file
OFFF
Alkyl halideKetone

Properties

Molecular formula
C10H9F3O
Molar mass
202.18 g/mol
Exact mass
202.0605 Da
logP
3.30Crippen estimate
Polar surface area
17.1 Ų
H-bond donors / acceptors
0 / 1
Rotatable bonds
2

Identifiers

CAS number
16185-96-9
SMILES
CCC(=O)C1=CC=CC=C1C(F)(F)F
InChIKey
PUSBIOFSWWHNDD-UHFFFAOYSA-N
InChI
InChI=1S/C10H9F3O/c1-2-9(14)7-5-3-4-6-8(7)10(11,12)13/h3-6H,2H2,1H3

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Names and synonyms

1 names
  • 2'-(Trifluoromethyl)propiophenone

Work with 2-(Trifluoromethyl)propiophenone

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-Fluoro-3-(trifluoromethyl)phenyl]-1-propanone207986-23-074 % similar 1-[2-(Trifluoromethyl)phenyl]ethanone17408-14-961 % similar Methyl β-oxo-2-(trifluoromethyl)benzenepropanoate212755-77-659 % similar Ethyl o-(trifluoromethyl)benzoate577-62-858 % similar 2-(Trifluoromethyl)benzoyl chloride312-94-754 % similar 2-(Trifluoromethyl)benzoic acid433-97-654 % similar Phenyl[2-(trifluoromethyl)phenyl]methanone727-99-153 % similar Propiophenone93-55-048 % similar

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

Same formula

3'-(Trifluoromethyl)propiophenone1533-03-5 3-(Trifluoromethyl)benzenepropanal21172-41-8 1-[3-(Trifluoromethyl)phenyl]-2-propanone21906-39-8

Elsewhere

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