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

C9H7F3O4CAS 72220-50-9236.15 g/mol

Open in Covalent MOL file
OOOHOFFF
Alkyl halideCarboxylic acidEther

Properties

Molecular formula
C9H7F3O4
Molar mass
236.15 g/mol
Exact mass
236.0296 Da
logP
2.05Crippen estimate
Polar surface area
55.8 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
4

Hazards

Warning
Irritant (GHS07)

Aggregated from 5 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
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)

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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

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