4-methyl-5-(phenylmethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidine hydrate

Systemtic Name: 4-methyl-5-(phenylmethyl)-2,2-bis(trifluoromethyl)-1,3-oxazolidine hydrate Openeye Name: 5-benzyl-4-methyl-2,2-bis(trifluoromethyl)oxazolidine hydrate CAS Name: 4-methyl-5-(phenylmethyl)-2,2-bis(trifluoromethyl)oxazolidine hydrate IUPAC Name: 5-benzyl-4-methyl-2,2-bis(trifluoromethyl)-1,3-oxazolidine hydrate Traditional Name: 5-benzyl-4-methyl-2,2-bis(trifluoromethyl)oxazolidine hydrate Formula: C13H15F6NO2 MolecularWeight: 331.254119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1C(OC(N1)(C(F)(F)F)C(F)(F)F)CC2=CC=CC=C2.O

Isomeric SMILES

CC1C(OC(N1)(C(F)(F)F)C(F)(F)F)CC2=CC=CC=C2.O

InChI

InChI=1S/C13H13F6NO.H2O/c1-8-10(7-9-5-3-2-4-6-9)21-11(20-8,12(14,15)16)13(17,18)19;/h2-6,8,10,20H,7H2,1H3;1H2