2-(Trifluoromethoxy)benzeneacetic acid

C9H7F3O3CAS 220239-67-8220.15 g/mol

Open in Covalent MOL file
OOHOFFF
Alkyl halideCarboxylic acidEther

Properties

Molecular formula
C9H7F3O3
Molar mass
220.15 g/mol
Exact mass
220.0347 Da
logP
2.21Crippen estimate
Polar surface area
46.5 Ų
H-bond donors / acceptors
1 / 2
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from 6 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
220239-67-8
SMILES
O=C(O)Cc1ccccc1OC(F)(F)F
InChIKey
QFLBBLZROQPTAI-UHFFFAOYSA-N
InChI
InChI=1S/C9H7F3O3/c10-9(11,12)15-7-4-2-1-3-6(7)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

4 names
  • Benzeneacetic acid, 2-(trifluoromethoxy)-
  • (2-Trifluoromethoxyphenyl)acetic acid
  • o-(Trifluoromethoxy)phenylacetic acid
  • 2-[2-(Trifluoromethoxy)phenyl]acetic acid

Work with 2-(Trifluoromethoxy)benzeneacetic 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-Methoxyphenylacetic acid93-25-462 % similar 2-Phenoxyphenylacetic acid25563-02-461 % similar 1,2-Benzenediacetic acid7500-53-059 % similar 2-Ethoxyphenylacetic acid70289-12-259 % similar 2-(Trifluoromethoxy)benzenemethanol175278-07-658 % similar (2-(Trifluoromethyl)phenyl)acetic acid3038-48-058 % similar 2-(Benzyloxy)phenylacetic acid22047-88-757 % similar (2-(Trifluoromethoxy)phenyl)methanamine175205-64-854 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

4-Methoxy-2-(trifluoromethyl)benzoic acid127817-85-0 2,4,5-Trifluoro-3-methoxy-benzoic acid methyl ester136897-64-8 2-Methoxy-5-(trifluoromethoxy)benzaldehyde145742-65-0 Methyl 2-(trifluoromethoxy)benzoate148437-99-4 Methyl 3-(trifluoromethoxy)benzoate148438-00-0 3-(Trifluoromethoxy)phenylacetic Acid203302-97-0 4-Methoxy-3-(trifluoromethyl)benzoic acid213598-09-5 3-Methoxy-4-(trifluoromethyl)benzoic acid276861-63-3

Elsewhere

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