1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone

C₈H₂Cl₂F₄OCAS 1190865-44-1261.00 g/mol

Open in Covalent MOL file

Alkyl halide Aryl halide Ketone

Properties

Molecular formula: C₈H₂Cl₂F₄O
Molar mass: 261.00 g/mol
Exact mass: 259.9419 Da
logP: 3.88Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 1

Hazards

Danger

H302 Harmful if swallowed90.9% of notifiers
H304 May be fatal if swallowed and enters airways90.9% of notifiers
H315 Causes skin irritation90.9% of notifiers
H411 Toxic to aquatic life with long lasting effects97% of notifiers

Aggregated from 33 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P264, P270, P273, P280, P301+P316, P301+P317, P302+P352, P321, P330, P331, P332+P317, P362+P364, P391, P405, P501

Identifiers

CAS number

1190865-44-1

SMILES

O=C(c1cc(Cl)c(F)c(Cl)c1)C(F)(F)F

InChIKey

NSWPERXXSPCRCT-UHFFFAOYSA-N

InChI

InChI=1S/C8H2Cl2F4O/c9-4-1-3(2-5(10)6(4)11)7(15)8(12,13)14/h1-2H

Weigh it out

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

Names and synonyms

3 names

Ethanone, 1-(3,5-dichloro-4-fluorophenyl)-2,2,2-trifluoro-
2,2,2-Trifluoro-1-(3,5-dichloro-4-fluorophenyl)ethanone
1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethan-1-one

Work with 1-(3,5-Dichloro-4-fluorophenyl)-2,2,2-trifluoroethanone

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-Dichlorophenyl)-2,2,2-trifluoroethanone130336-16-259 % similar 1,3-Dichloro-2-fluoro-5-(3,3,3-trifluoroprop-1-en-2-yl)benzene928783-84-059 % similar 2,2,2,3′-Tetrafluoroacetophenone708-64-551 % similar 1-[3-Chloro-5-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanone1125812-58-950 % similar 1-(4-Chlorophenyl)-2,2,2-trifluoroethanone321-37-950 % similar 2,2,2,4′-Tetrafluoroacetophenone655-32-347 % similar 3'-Bromo-2,2,2-trifluoroacetophenone655-26-546 % similar 2,2,2-Trifluoro-1-phenylethanone434-45-745 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

2-Chloro-3-fluoro-6-(trifluoromethyl)benzoyl chloride186517-45-3 3-Chloro-2-fluoro-5-(trifluoromethyl)benzoyl chloride261763-03-5

Elsewhere

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