1-[3-(Trifluoromethyl)phenyl]-2-propanone

C₁₀H₉F₃OCAS 21906-39-8202.18 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₀H₉F₃O
Molar mass: 202.18 g/mol
Exact mass: 202.0605 Da
Boiling point: 105–115 °C (at 20 Torr)
logP: 2.84Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.9% of notifiers

Aggregated from 48 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

21906-39-8

SMILES

CC(=O)Cc1cccc(C(F)(F)F)c1

InChIKey

JPHQCDCEBDRIOL-UHFFFAOYSA-N

InChI

InChI=1S/C10H9F3O/c1-7(14)5-8-3-2-4-9(6-8)10(11,12)13/h2-4,6H,5H2,1H3

Weigh it out

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

Names and synonyms

10 names

2-Propanone, 1-[3-(trifluoromethyl)phenyl]-
2-Propanone, 1-(α,α,α-trifluoro-m-tolyl)-
m-(Trifluoromethyl)benzyl methyl ketone
1-(3-Trifluoromethylphenyl)-2-propanone
[3-(Trifluoromethyl)phenyl]acetone
1-(α,α,α-Trifluoro-m-tolyl)-2-propanone
m-(Trifluoromethyl)phenylacetone
1-(3-Trifluoromethylphenyl)acetone
1-(3-Trifluoromethylphenyl)propane-2-one
1-(Alpha,alpha,alpha-Trifluoro-m-tolyl)acetone

Work with 1-[3-(Trifluoromethyl)phenyl]-2-propanone

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

[3-(Trifluoromethyl)phenyl]acetic acid351-35-963 % similar 3-Fluorophenylacetone1737-19-561 % similar 1-(3-Chlorophenyl)propan-2-one14123-60-557 % similar 3,3'-Bis(trifluoromethyl)diphenylmethane86845-35-456 % similar 1-(3-Bromophenyl)propan-2-one21906-32-155 % similar Phenylacetone103-79-753 % similar 3′-Methoxyphenyl-2-propanone3027-13-253 % similar 3-(3-Trifluoromethylphenyl)propanoic acid585-50-252 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3'-(Trifluoromethyl)propiophenone1533-03-5 2-(Trifluoromethyl)propiophenone16185-96-9 3-(Trifluoromethyl)benzenepropanal21172-41-8 p-Trifluoromethylpropiophenone711-33-1

Elsewhere

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