2-adamantyl 2,2,2-tris(fluoranyl)ethanoate

Systemtic Name: 2-adamantyl 2,2,2-tris(fluoranyl)ethanoate Openeye Name: 2-adamantyl 2,2,2-trifluoroacetate CAS Name: 2,2,2-trifluoroacetic acid 2-adamantyl ester IUPAC Name: 2-adamantyl 2,2,2-trifluoroacetate Traditional Name: 2,2,2-trifluoroacetic acid 2-adamantyl ester Formula: C12H15F3O2 MolecularWeight: 248.24151

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2CC3CC1CC(C2)C3OC(=O)C(F)(F)F

Isomeric SMILES

C1C2CC3CC1CC(C2)C3OC(=O)C(F)(F)F

InChI

InChI=1S/C12H15F3O2/c13-12(14,15)11(16)17-10-8-2-6-1-7(4-8)5-9(10)3-6/h6-10H,1-5H2