2,2,3,3,3-Pentafluoro-1-phenylpropan-1-one

C₉H₅F₅OCAS 394-52-5224.13 g/mol

Open in Covalent MOL file

Alkyl halide Ketone

Properties

Molecular formula: C₉H₅F₅O
Molar mass: 224.13 g/mol
Exact mass: 224.0261 Da
logP: 3.07Crippen estimate
Polar surface area: 17.1 Å²
H-bond donors / acceptors: 0 / 1
Rotatable bonds: 2

Hazards

Warning

H226 Flammable liquid and vapor50% of notifiers
H302 Harmful if swallowed50% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from 2 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, P501

Identifiers

CAS number

394-52-5

SMILES

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

InChIKey

VUBUXALTYMBEQO-UHFFFAOYSA-N

InChI

InChI=1S/C9H5F5O/c10-8(11,9(12,13)14)7(15)6-4-2-1-3-5-6/h1-5H

Weigh it out

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

Names and synonyms

1 names

Pentafluoroethyl phenyl ketone

Work with 2,2,3,3,3-Pentafluoro-1-phenylpropan-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 Isotope patternExact mass and the mass spectrum pattern

Similar compounds

2,2,3,3,4,4,4-Heptafluoro-1-phenylbutan-1-one559-91-176 % similar 2,2,2-Trifluoro-1-phenylethanone434-45-761 % similar 2-Chloro-2,2-difluoroacetophenone384-67-855 % similar 1,2,2,2-Tetraphenylethanone466-37-550 % similar 2,2-Dimethyl-1-phenyl-1-propanone938-16-950 % similar 2-Bromoisobutyrophenone10409-54-845 % similar 2-Hydroxy-2-methyl-1-phenylpropan-1-one7473-98-545 % similar 2,2-Dimethyl-1-phenylbutan-1-one829-10-743 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

3',5'-Difluoro-4'-(trifluoromethyl)acetophenone1189359-39-4 2',4'-Difluoro-3'-(trifluoromethyl) acetophenone1202679-46-6

Elsewhere

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