5-Methoxy-4'-(trifluoromethyl)valerophenone

C₁₃H₁₅F₃O₂CAS 61718-80-7260.26 g/mol

Open in Covalent MOL file

Alkyl halide Ether Ketone

Properties

Molecular formula: C₁₃H₁₅F₃O₂
Molar mass: 260.26 g/mol
Exact mass: 260.1024 Da
logP: 3.70Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 6

Hazards

H411 Toxic to aquatic life with long lasting effectsHazardous to the aquatic environment, long-term hazard

Harmonised EU classification (CLP Annex VI), via PubChem.

Precautionary statements

P273, P391, P501

Identifiers

CAS number

61718-80-7

SMILES

COCCCCC(=O)c1ccc(C(F)(F)F)cc1

InChIKey

VYKSRLDHXQURKA-UHFFFAOYSA-N

InChI

InChI=1S/C13H15F3O2/c1-18-9-3-2-4-12(17)10-5-7-11(8-6-10)13(14,15)16/h5-8H,2-4,9H2,1H3

Weigh it out

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

Names and synonyms

3 names

5-Methoxy-1-[4-(trifluoromethyl)phenyl]-1-pentanone
1-Pentanone, 5-methoxy-1-[4-(trifluoromethyl)phenyl]-
Fluvoxketone

Work with 5-Methoxy-4'-(trifluoromethyl)valerophenone

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

Fluvoxamine54739-18-357 % similar p-Trifluoromethylpropiophenone711-33-155 % similar Fluvoxamine maleate61718-82-952 % similar 2-Bromo-4'-(trifluoromethyl)acetophenone383-53-951 % similar Ethyl 3-oxo-3-(4-(trifluoromethyl)phenyl)propanoate106263-53-049 % similar Methyl 4-(trifluoromethyl)benzoate2967-66-048 % similar Ethyl 4-trifluoromethylbenzoate583-02-844 % similar 4-Trifluoromethylbenzoic anhydride25753-16-644 % similar

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

Elsewhere

PubChem CAS Common Chemistry NIST WebBook