6-[(1S)-1-azanyl-2,2,2-tris(fluoranyl)ethyl]-4-propyl-1,4-benzoxazin-3-one

Systemtic Name: 6-[(1S)-1-azanyl-2,2,2-tris(fluoranyl)ethyl]-4-propyl-1,4-benzoxazin-3-one Openeye Name: 6-[(1S)-1-amino-2,2,2-trifluoro-ethyl]-4-propyl-1,4-benzoxazin-3-one CAS Name: 6-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-propyl-1,4-benzoxazin-3-one IUPAC Name: 6-[(1S)-1-amino-2,2,2-trifluoroethyl]-4-propyl-1,4-benzoxazin-3-one Traditional Name: 6-[(1S)-1-amino-2,2,2-trifluoro-ethyl]-4-propyl-1,4-benzoxazin-3-one Formula: C13H15F3N2O2 MolecularWeight: 288.26561

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)COC2=C1C=C(C=C2)C(C(F)(F)F)N

Isomeric SMILES

CCCN1C(=O)COC2=C1C=C(C=C2)[C@@H](C(F)(F)F)N

InChI

InChI=1S/C13H15F3N2O2/c1-2-5-18-9-6-8(12(17)13(14,15)16)3-4-10(9)20-7-11(18)19/h3-4,6,12H,2,5,7,17H2,1H3/t12-/m0/s1