1-[3-azanyl-1,1,1-tris(fluoranyl)propan-2-yl]azepane-2,7-dione

Systemtic Name: 1-[3-azanyl-1,1,1-tris(fluoranyl)propan-2-yl]azepane-2,7-dione Openeye Name: 1-[1-(aminomethyl)-2,2,2-trifluoro-ethyl]azepane-2,7-dione CAS Name: 1-(3-amino-1,1,1-trifluoropropan-2-yl)azepane-2,7-dione IUPAC Name: 1-(3-amino-1,1,1-trifluoropropan-2-yl)azepane-2,7-dione Traditional Name: 1-[1-(aminomethyl)-2,2,2-trifluoro-ethyl]azepane-2,7-quinone Formula: C9H13F3N2O2 MolecularWeight: 238.20693

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)N(C(=O)C1)C(CN)C(F)(F)F

Isomeric SMILES

C1CCC(=O)N(C(=O)C1)C(CN)C(F)(F)F

InChI

InChI=1S/C9H13F3N2O2/c10-9(11,12)6(5-13)14-7(15)3-1-2-4-8(14)16/h6H,1-5,13H2