methyl 5,5,5-tris(fluoranyl)-3-phenyl-4-(trifluoromethyl)pentanoate

Systemtic Name: methyl 5,5,5-tris(fluoranyl)-3-phenyl-4-(trifluoromethyl)pentanoate Openeye Name: methyl 5,5,5-trifluoro-3-phenyl-4-(trifluoromethyl)pentanoate CAS Name: 5,5,5-trifluoro-3-phenyl-4-(trifluoromethyl)pentanoic acid methyl ester IUPAC Name: methyl 5,5,5-trifluoro-3-phenyl-4-(trifluoromethyl)pentanoate Traditional Name: 5,5,5-trifluoro-3-phenyl-4-(trifluoromethyl)valeric acid methyl ester Formula: C13H12F6O2 MolecularWeight: 314.223599

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12F6O2/c1-21-10(20)7-9(8-5-3-2-4-6-8)11(12(14,15)16)13(17,18)19/h2-6,9,11H,7H2,1H3