2-[(5S,7S)-2,2-bis(fluoranyl)-1-adamantyl]ethanoate

Systemtic Name: 2-[(5S,7S)-2,2-bis(fluoranyl)-1-adamantyl]ethanoate Openeye Name: 2-[(5S,7S)-2,2-difluoro-1-adamantyl]acetate CAS Name: 2-[(5S,7S)-2,2-difluoro-1-adamantyl]acetate IUPAC Name: 2-[(5S,7S)-2,2-difluoro-1-adamantyl]acetate Traditional Name: 2-[(5S,7S)-2,2-difluoro-1-adamantyl]acetate Formula: C12H15F2O2- MolecularWeight: 229.243106

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)(C3(F)F)CC(=O)[O-]

Isomeric SMILES

C1[C@H]2CC3C[C@H]1CC(C2)(C3(F)F)CC(=O)[O-]

InChI

InChI=1S/C12H16F2O2/c13-12(14)9-2-7-1-8(3-9)5-11(12,4-7)6-10(15)16/h7-9H,1-6H2,(H,15,16)/p-1/t7-,8-,9?,11?/m0/s1