Ethyl 3,5-bis(trifluoromethyl)benzoate

C₁₁H₈F₆O₂CAS 96617-71-9286.17 g/mol

Open in Covalent MOL file

Alkyl halide Ester

Properties

Molecular formula: C₁₁H₈F₆O₂
Molar mass: 286.17 g/mol
Exact mass: 286.0428 Da
logP: 3.90Crippen estimate
Polar surface area: 26.3 Å²
H-bond donors / acceptors: 0 / 2
Rotatable bonds: 2

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

96617-71-9

SMILES

CCOC(=O)C1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

InChIKey

NBWZJMOEFTYMOF-UHFFFAOYSA-N

InChI

InChI=1S/C11H8F6O2/c1-2-19-9(18)6-3-7(10(12,13)14)5-8(4-6)11(15,16)17/h3-5H,2H2,1H3

Weigh it out

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Work with Ethyl 3,5-bis(trifluoromethyl)benzoate

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 3-(trifluoromethyl)benzoate76783-59-073 % similar Ethyl 4-trifluoromethylbenzoate583-02-871 % similar Triethyl 1,3,5-benzenetricarboxylate4105-92-465 % similar Methyl 3,5-bis(trifluoromethyl)benzoate26107-80-263 % similar Ethyl 2-(trifluoromethyl)pyrimidine-5-carboxylate304693-64-959 % similar Ethyl 6-(trifluoromethyl)-3-pyridinecarboxylate597532-36-055 % similar Diethyl terephthalate636-09-955 % similar 1-[3,5-Bis(trifluoromethyl)phenyl]-1-propanone85068-34-454 % similar

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

Elsewhere

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