3'-Fluoro-5'-(trifluoromethyl)propiophenone

C₁₀H₈F₄OCAS 207974-20-7220.17 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₁₀H₈F₄O
Molar mass: 220.17 g/mol
Exact mass: 220.0511 Da
logP: 3.44Crippen 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 irritation20% of notifiers

Aggregated from 5 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

207974-20-7

SMILES

CCC(=O)c1cc(F)cc(C(F)(F)F)c1

InChIKey

KEAIAOPGXGEINJ-UHFFFAOYSA-N

InChI

InChI=1S/C10H8F4O/c1-2-9(15)6-3-7(10(12,13)14)5-8(11)4-6/h3-5H,2H2,1H3

Weigh it out

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

Names and synonyms

2 names

1-[3-Fluoro-5-(trifluoromethyl)phenyl]-1-propanone
1-Propanone, 1-[3-fluoro-5-(trifluoromethyl)phenyl]-

Work with 3'-Fluoro-5'-(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-[3,5-Bis(trifluoromethyl)phenyl]-1-propanone85068-34-479 % similar 3,5-Difluoropropiophenone135306-45-570 % similar 3'-(Trifluoromethyl)propiophenone1533-03-562 % similar 1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone202664-54-861 % similar 3-Fluoro-5-(trifluoromethyl)benzamide207986-20-759 % similar p-Trifluoromethylpropiophenone711-33-159 % similar 3-Fluoro-5-(trifluoromethyl)benzoic acid161622-05-556 % similar 3-Fluoro-5-(trifluoromethyl)benzoyl chloride171243-30-456 % similar

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

Same formula

2-Fluoro-5-(trifluoromethyl)propiophenone207974-18-3 2'-Fluoro-3'-(trifluoromethyl)propiophenone207986-23-0 2'-Fluoro-4'-(trifluoromethyl)propiophenone208173-16-4

Elsewhere

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