3',4',5'-Trifluoroacetophenone

C₈H₅F₃OCAS 220141-73-1174.12 g/mol

Open in Covalent MOL file

Aryl halide Ketone

Properties

Molecular formula: C₈H₅F₃O
Molar mass: 174.12 g/mol
Exact mass: 174.0292 Da
logP: 2.31Crippen 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 irritation85.7% of notifiers

Aggregated from 7 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

220141-73-1

SMILES

CC(=O)C1=CC(=C(C(=C1)F)F)F

InChIKey

KXVIYAHOUAMVJX-UHFFFAOYSA-N

InChI

InChI=1S/C8H5F3O/c1-4(12)5-2-6(9)8(11)7(10)3-5/h2-3H,1H3

Weigh it out

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

Work with 3',4',5'-Trifluoroacetophenone

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-(3,4-Difluorophenyl)ethanone369-33-562 % similar 3',5'-Difluoro-4'-(trifluoromethyl)acetophenone1189359-39-461 % similar 2',3',4',5'-Tetrafluoroacetophenone66286-21-360 % similar 1,1′,1′′-(1,3,5-Benzenetriyl)tris[ethanone]779-90-858 % similar 3',5'-Difluoroacetophenone123577-99-157 % similar 3,4,5-Trifluorobenzamide78324-75-155 % similar 4'-Chloro-3'-fluoroacetophenone151945-84-555 % similar 1-(4-Bromo-3-fluorophenyl)ethan-1-one304445-49-655 % similar

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

Same formula

1-(2,4,5-Trifluorophenyl)ethanone129322-83-4 1-(2,3,6-Trifluorophenyl)ethanone208173-22-2 1-(2,3,4-Trifluorophenyl)ethan-1-one243448-15-9 2,2,2-Trifluoro-1-phenylethanone434-45-7 2-(Trifluoromethyl)benzaldehyde447-61-0 3-(Trifluoromethyl)benzaldehyde454-89-7 4-(Trifluoromethyl)benzaldehyde455-19-6 2',4',6'-Trifluoroacetophenone51788-77-3

Elsewhere

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