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

Warning

H302 Harmful if swallowed100% of notifiers
H312 Harmful in contact with skin100% of notifiers
H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H332 Harmful if inhaled100% of notifiers
H335 May cause respiratory irritation100% of notifiers

Aggregated from the ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

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)

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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-(4-Hydroxy-phenoxy)-propionic acid67648-61-765 % similar Hydroxyphenoxy propionic acid94050-90-565 % similar 2-(4-Methoxyphenoxy)propionic acid13794-15-563 % similar DL-2-Phenoxypropionic acid940-31-862 % similar 2-(4-Chlorophenoxy)propionic acid3307-39-962 % similar Clofop26129-32-857 % similar (±)-2-(3-Chlorophenoxy)propionic acid101-10-053 % similar 2-[4-(Trifluoromethoxy)phenyl]acetic acid4315-07-551 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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