1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one

C₁₀H₆F₆OCAS 30071-93-3256.15 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₁₀H₆F₆O
Molar mass: 256.15 g/mol
Exact mass: 256.0323 Da
Boiling point: 187–189 °C
logP: 3.93Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation98% of notifiers

Aggregated from 49 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

30071-93-3

SMILES

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

InChIKey

MCYCSIKSZLARBD-UHFFFAOYSA-N

InChI

InChI=1S/C10H6F6O/c1-5(17)6-2-7(9(11,12)13)4-8(3-6)10(14,15)16/h2-4H,1H3

Weigh it out

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

Names and synonyms

11 names

Bis (trifluoromethyl)acetophenone
Ethanone, 1-[3,5-bis(trifluoromethyl)phenyl]-
Acetophenone, 3′,5′-bis(trifluoromethyl)-
1-[3,5-Bis(trifluoromethyl)phenyl]ethanone
1-[3,5-Di(trifluoromethyl)phenyl]ethanone
3′,5′-Bis(trifluoromethyl)acetophenone
3,5-Bis(trifluoromethyl)acetophenone
3,5-Di(trifluoromethyl)acetophenone
3,5-Bis(trifluoromethyl)phenyl methyl ketone
1-[3,5-Bis(trifluoromethyl)phenyl]ethan-1-one
1-[3,5-Di(trifluoromethyl)phenyl]ethan-1-one

Work with 1-(3,5-Bis(trifluoromethyl)phenyl)ethan-1-one

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

1-[3-Fluoro-5-(trifluoromethyl)phenyl]ethanone202664-54-877 % similar 3'-(Trifluoromethyl)acetophenone349-76-868 % similar 4-(Trifluoromethyl)acetophenone709-63-766 % similar 3,3',5,5'-Tetrakis(trifluoromethyl)benzophenone175136-66-061 % similar 3',5'-Difluoro-4'-(trifluoromethyl)acetophenone1189359-39-459 % similar 1-(2,6-Dichloro-4-(trifluoromethyl)phenyl)ethanone175205-88-658 % similar 1,1′,1′′-(1,3,5-Benzenetriyl)tris[ethanone]779-90-856 % similar 3,5-Bis(trifluoromethyl)benzoic acid725-89-355 % similar

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

Elsewhere

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