1-[4-[bis(fluoranyl)methyl]-6-cyclopropyl-pyrimidin-2-yl]piperidine-4-carboxylate

Systemtic Name: 1-[4-[bis(fluoranyl)methyl]-6-cyclopropyl-pyrimidin-2-yl]piperidine-4-carboxylate Openeye Name: 1-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate CAS Name: 1-[4-cyclopropyl-6-(difluoromethyl)-2-pyrimidinyl]-4-piperidinecarboxylate IUPAC Name: 1-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[4-cyclopropyl-6-(difluoromethyl)pyrimidin-2-yl]isonipecotate Formula: C14H16F2N3O2- MolecularWeight: 296.292546

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CC(=NC(=N2)N3CCC(CC3)C(=O)[O-])C(F)F

Isomeric SMILES

C1CC1C2=CC(=NC(=N2)N3CCC(CC3)C(=O)[O-])C(F)F

InChI

InChI=1S/C14H17F2N3O2/c15-12(16)11-7-10(8-1-2-8)17-14(18-11)19-5-3-9(4-6-19)13(20)21/h7-9,12H,1-6H2,(H,20,21)/p-1