Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate

C12H10F3NO3CAS 175203-82-4273.21 g/mol

Open in Covalent MOL file
OOOFFFNH
Alkyl halideEsterEther

Properties

Molecular formula
C12H10F3NO3
Molar mass
273.21 g/mol
Exact mass
273.0613 Da
logP
3.24Crippen estimate
Polar surface area
51.3 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
3

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
175203-82-4
SMILES
CCOC(=O)c1cc2cc(OC(F)(F)F)ccc2[nH]1
InChIKey
LLGKTDNPBIFJKJ-UHFFFAOYSA-N
InChI
InChI=1S/C12H10F3NO3/c1-2-18-11(17)10-6-7-5-8(19-12(13,14)15)3-4-9(7)16-10/h3-6,16H,2H2,1H3

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

Names and synonyms

4 names
  • 1H-Indole-2-carboxylic acid, 5-(trifluoromethoxy)-, ethyl ester
  • 5-(Trifluoromethoxy)indole-2-carboxylic acid ethyl ester
  • Ethyl 5-trifluoromethyloxy-1H-indole-2-carboxylate
  • Ethyl 5-trifluoromethoxy-1H-indole-2-carboxylate

Work with Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate

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

Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-970 % similar Ethyl 5-fluoroindole-2-carboxylate348-36-765 % similar Ethyl 5-methyl-1H-indole-2-carboxylate16382-15-363 % similar Ethyl 5-(phenylmethoxy)-1H-indole-2-carboxylate37033-95-762 % similar 2-(Ethoxycarbonyl)-5-bromo-indole16732-70-061 % similar 5-(Trifluoromethoxy)indole-2-carboxylic acid175203-84-661 % similar Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-161 % similar Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-061 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Elsewhere

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