3'-(Trifluoromethoxy)acetophenone

C₉H₇F₃O₂CAS 170141-63-6204.15 g/mol

Open in Covalent MOL file

Alkyl halide Ether Ketone

Properties

Molecular formula: C₉H₇F₃O₂
Molar mass: 204.15 g/mol
Exact mass: 204.0398 Da
logP: 2.79Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation97.7% of notifiers

Aggregated from 43 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

170141-63-6

SMILES

CC(=O)C1=CC(=CC=C1)OC(F)(F)F

InChIKey

UYHTUQHYGKAYJM-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F3O2/c1-6(13)7-3-2-4-8(5-7)14-9(10,11)12/h2-5H,1H3

Weigh it out

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

Names and synonyms

1 names

1-(3-(Trifluoromethoxy)phenyl)ethanone

Work with 3'-(Trifluoromethoxy)acetophenone

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

Methyl 3-(trifluoromethoxy)benzoate148438-00-066 % similar 1-[4-(Trifluoromethoxy)phenyl]ethanone85013-98-566 % similar 3-(Trifluoromethoxy)benzamide658-91-365 % similar 3-(Trifluoromethoxy)benzoic acid1014-81-963 % similar 3-(Trifluoromethoxy)benzoyl chloride86270-03-363 % similar 3-Methoxyacetophenone586-37-861 % similar 1-[3-(Acetyloxy)phenyl]ethanone2454-35-558 % similar 1,3-Diacetylbenzene6781-42-656 % similar

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

Same formula

4-Methoxy-2-(trifluoromethyl)benzaldehyde106312-36-1 4-Methyl-2-(trifluoromethyl)benzoic acid120985-64-0 2-Methyl-5-(trifluoromethyl)benzoic acid13055-63-5 2-Methoxy-4-(trifluoromethyl)benzaldehyde132927-09-4 2-Methoxy-5-(trifluoromethyl)benzaldehyde146539-83-5 4'-Hydroxy-3'-(trifluoromethyl)acetophenone149105-11-3 2'-(Trifluoromethoxy)acetophenone220227-93-0 Methyl 3-trifluoromethylbenzoate2557-13-3

Elsewhere

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