2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile

C₁₁H₁₀F₃NO₂CAS 175204-04-3245.20 g/mol

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Alkyl halide Ether Nitrile

Properties

Molecular formula: C₁₁H₁₀F₃NO₂
Molar mass: 245.20 g/mol
Exact mass: 245.0664 Da
logP: 2.90Crippen estimate
Polar surface area: 42.3 Å²
H-bond donors / acceptors: 0 / 3
Rotatable bonds: 4

Identifiers

CAS number

175204-04-3

SMILES

CCOc1cccc(OCC(F)(F)F)c1C#N

InChIKey

YZBRNALJPGILPM-UHFFFAOYSA-N

InChI

InChI=1S/C11H10F3NO2/c1-2-16-9-4-3-5-10(8(9)6-15)17-7-11(12,13)14/h3-5H,2,7H2,1H3

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Names and synonyms

1 names

Benzonitrile, 2-ethoxy-6-(2,2,2-trifluoroethoxy)-

Work with 2-Ethoxy-6-(2,2,2-trifluoroethoxy)benzonitrile

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-Fluoro-6-(2,2,2-trifluoroethoxy)benzonitrile119584-74-668 % similar 2-Ethoxybenzonitrile6609-57-051 % similar 1,2-Diethoxybenzene2050-46-646 % similar 2-[2-(2,2,2-Trifluoroethoxy)phenoxy]ethyl methanesulfonate160969-03-944 % similar 2-(2,2,2-Trifluoroethoxy)-3-pyridinecarbonitrile175277-89-143 % similar 1-Ethoxy-2-fluorobenzene451-80-943 % similar 1-Chloro-2-ethoxybenzene614-72-243 % similar 4-Ethoxy-2,3-difluorobenzonitrile126162-96-742 % similar

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

Elsewhere

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