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

C₉H₇F₃O₄CAS 72220-50-9236.15 g/mol

Open in Covalent MOL file

Alkyl halide Carboxylic acid Ether

Properties

Molecular formula: C₉H₇F₃O₄
Molar mass: 236.15 g/mol
Exact mass: 236.0296 Da
logP: 2.05Crippen 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

72220-50-9

SMILES

C1=CC(=CC=C1OCC(=O)O)OC(F)(F)F

InChIKey

QHSBEEUEIRDHCD-UHFFFAOYSA-N

InChI

InChI=1S/C9H7F3O4/c10-9(11,12)16-7-3-1-6(2-4-7)15-5-8(13)14/h1-4H,5H2,(H,13,14)

Weigh it out

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

Names and synonyms

1 names

4-(Trifluoromethoxy)phenoxyacetic acid

Work with 2-(4-(Trifluoromethoxy)phenoxy)acetic 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

2,2′-[1,4-Phenylenebis(oxy)]bis[acetic acid]2245-53-672 % similar 2-[4-(Trifluoromethoxy)phenyl]acetic acid4315-07-571 % similar 4-Fluorophenoxyacetic acid405-79-865 % similar (4-Hydroxyphenoxy)acetic acid1878-84-862 % similar Phenoxyacetic acid122-59-861 % similar 4-Chlorophenoxyacetic acid122-88-360 % similar 4-Methoxyphenoxyacetic acid1877-75-460 % similar 2-(4-Bromophenoxy)acetic acid1878-91-760 % similar

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

Same formula

2-Methoxy-5-(trifluoromethoxy)benzoic acid191604-88-3

Elsewhere

PubChem CAS Common Chemistry NIST WebBook