chempirical

Ethyl 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylate

C14H10ClF3O3CAS 175276-59-2318.68 g/mol

Open in Covalent MOL file
OOOClFFF
Alkyl halideAryl halideEster

Properties

Molecular formula
C14H10ClF3O3
Molar mass
318.68 g/mol
Exact mass
318.0271 Da
logP
4.80Crippen estimate
Polar surface area
39.4 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
3

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
175276-59-2
SMILES
CCOC(=O)C1=C(OC(=C1)C2=CC=C(C=C2)Cl)C(F)(F)F
InChIKey
MCLQZAOFPDFYKV-UHFFFAOYSA-N
InChI
InChI=1S/C14H10ClF3O3/c1-2-20-13(19)10-7-11(21-12(10)14(16,17)18)8-3-5-9(15)6-4-8/h3-7H,2H2,1H3

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Names and synonyms

1 names
  • Ethyl 5-(4-chlorophenyl)-2-(trifluoromethyl)-3-furoate

Work with Ethyl 5-(4-chlorophenyl)-2-(trifluoromethyl)furan-3-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

5-(4-Chlorophenyl)-2-(trifluoromethyl)furan-3-carbonyl chloride175276-61-662 % similar 5-(4-Chlorophenyl)-2-(trifluoromethyl)furan-3-carboxylic acid175276-60-561 % similar Ethyl 1-(4-chlorophenyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxylate112055-36-451 % similar Ethyl 2,5-dichlorobenzoate35112-27-749 % similar Ethyl 2,4-dichlorobenzoate56882-52-149 % similar Ethyl 4-chlorobenzoate7335-27-548 % similar Ethyl o-(trifluoromethyl)benzoate577-62-846 % similar Ethyl 3-(trifluoromethyl)benzoate76783-59-044 % similar

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

Elsewhere

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