4-[4-azanyl-1,1,1-tris(fluoranyl)butan-2-yl]-1,4-benzoxazin-3-one

Systemtic Name: 4-[4-azanyl-1,1,1-tris(fluoranyl)butan-2-yl]-1,4-benzoxazin-3-one Openeye Name: 4-[3-amino-1-(trifluoromethyl)propyl]-1,4-benzoxazin-3-one CAS Name: 4-(4-amino-1,1,1-trifluorobutan-2-yl)-1,4-benzoxazin-3-one IUPAC Name: 4-(4-amino-1,1,1-trifluorobutan-2-yl)-1,4-benzoxazin-3-one Traditional Name: 4-[3-amino-1-(trifluoromethyl)propyl]-1,4-benzoxazin-3-one Formula: C12H13F3N2O2 MolecularWeight: 274.23903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)N(C2=CC=CC=C2O1)C(CCN)C(F)(F)F

Isomeric SMILES

C1C(=O)N(C2=CC=CC=C2O1)C(CCN)C(F)(F)F

InChI

InChI=1S/C12H13F3N2O2/c13-12(14,15)10(5-6-16)17-8-3-1-2-4-9(8)19-7-11(17)18/h1-4,10H,5-7,16H2