2-(4-(Trifluoromethoxy)phenoxy)propanoic acid

C₁₀H₉F₃O₄CAS 175204-35-0250.17 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Ether

Properties

Molecular formula: C₁₀H₉F₃O₄
Molar mass: 250.17 g/mol
Exact mass: 250.0453 Da
logP: 2.44Crippen estimate
Polar surface area: 55.8 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 4

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

175204-35-0

SMILES

CC(C(=O)O)OC1=CC=C(C=C1)OC(F)(F)F

InChIKey

NVWNMNYBXVGBEN-UHFFFAOYSA-N

InChI

InChI=1S/C10H9F3O4/c1-6(9(14)15)16-7-2-4-8(5-3-7)17-10(11,12)13/h2-6H,1H3,(H,14,15)

Weigh it out

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Names and synonyms

1 names

Dl-2-[4-(trifluoromethoxy)phenoxy]propionic acid

Work with 2-(4-(Trifluoromethoxy)phenoxy)propanoic acid

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-Phenylpropionic acid7782-24-333 % similar (-)-2-Phenylpropionic acid7782-26-533 % similar

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

Elsewhere

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