1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,2,2-tris(fluoranyl)-N-methyl-ethanamine

Systemtic Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,2,2-tris(fluoranyl)-N-methyl-ethanamine Openeye Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,2,2-trifluoro-N-methyl-ethanamine CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,2,2-trifluoro-N-methylethanamine IUPAC Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,2,2-trifluoro-N-methylethanamine Traditional Name: [1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2,2,2-trifluoro-ethyl]-methyl-amine Formula: C12H14F3NO2 MolecularWeight: 261.24027

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Descriptors Computed from Structure

Canonical SMILES:

CNC(C1=CC2=C(C=C1)OCCCO2)C(F)(F)F

Isomeric SMILES

CNC(C1=CC2=C(C=C1)OCCCO2)C(F)(F)F

InChI

InChI=1S/C12H14F3NO2/c1-16-11(12(13,14)15)8-3-4-9-10(7-8)18-6-2-5-17-9/h3-4,7,11,16H,2,5-6H2,1H3