1-[3,5-Bis(trifluoromethyl)phenyl]-1-propanone

C₁₁H₈F₆OCAS 85068-34-4270.17 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₁H₈F₆O
Molar mass: 270.17 g/mol
Exact mass: 270.0479 Da
logP: 4.32Crippen 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 irritation33.3% of notifiers

Aggregated from 6 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

85068-34-4

SMILES

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

InChIKey

VLRWCHKOSBUGMB-UHFFFAOYSA-N

InChI

InChI=1S/C11H8F6O/c1-2-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5H,2H2,1H3

Weigh it out

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

Names and synonyms

4 names

1-Propanone, 1-[3,5-bis(trifluoromethyl)phenyl]-
3′,5′-Bistrifluoromethylpropiophenone
1-[3,5-Bis(trifluoromethyl)phenyl]propan-1-one
3',5'-Bis(trifluoromethyl)propiophenone

Work with 1-[3,5-Bis(trifluoromethyl)phenyl]-1-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'-Fluoro-5'-(trifluoromethyl)propiophenone207974-20-779 % similar 3'-(Trifluoromethyl)propiophenone1533-03-571 % similar p-Trifluoromethylpropiophenone711-33-169 % similar 3',5'-Bis(trifluoromethyl)-2-bromoacetophenone131805-94-264 % similar 3,3',5,5'-Tetrakis(trifluoromethyl)benzophenone175136-66-055 % similar 3,5-Difluoropropiophenone135306-45-555 % similar 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one30071-93-355 % similar Ethyl 3,5-bis(trifluoromethyl)benzoate96617-71-954 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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