Ethyl 6-fluoro-1H-indole-2-carboxylate

C₁₁H₁₀FNO₂CAS 348-37-8207.20 g/mol

Open in Covalent MOL file

Aryl halide Ester

Properties

Molecular formula: C₁₁H₁₀FNO₂
Molar mass: 207.20 g/mol
Exact mass: 207.0696 Da
Melting point: 143 °C
logP: 2.48Crippen estimate
Polar surface area: 42.1 Å²
H-bond donors / acceptors: 1 / 2
Rotatable bonds: 2

Identifiers

CAS number

348-37-8

SMILES

CCOC(=O)c1cc2ccc(F)cc2[nH]1

InChIKey

KOLXHQLPMICACW-UHFFFAOYSA-N

InChI

InChI=1S/C11H10FNO2/c1-2-15-11(14)10-5-7-3-4-8(12)6-9(7)13-10/h3-6,13H,2H2,1H3

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Names and synonyms

4 names

1H-Indole-2-carboxylic acid, 6-fluoro-, ethyl ester
Indole-2-carboxylic acid, 6-fluoro-, ethyl ester
6-Fluoro-1H-indole-2-carboxylic acid ethyl ester
Ethyl 6-fluoroindole-2-carboxylate

Work with Ethyl 6-fluoro-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 6-bromoindole-2-carboxylate103858-53-368 % similar Ethyl 5-chloro-1H-indole-2-carboxylate4792-67-061 % similar Ethyl 5-hydroxy-1H-indole-2-carboxylate24985-85-157 % similar Ethyl 5-methoxy-1H-indole-2-carboxylate4792-58-956 % similar Ethyl 5-(trifluoromethoxy)-1H-indole-2-carboxylate175203-82-455 % similar Ethyl 2,4-difluorobenzoate108928-00-353 % similar Ethyl 4-fluorobenzoate451-46-752 % similar Ethyl 3-fluorobenzoate451-02-552 % similar

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

Same formula

Ethyl 5-fluoroindole-2-carboxylate348-36-7

Elsewhere

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