1-phenethylurea; 2,2,2-tris(fluoranyl)ethanoic acid

Systemtic Name: 1-phenethylurea; 2,2,2-tris(fluoranyl)ethanoic acid Openeye Name: phenethylurea; 2,2,2-trifluoroacetic acid CAS Name: phenethylurea; 2,2,2-trifluoroacetic acid IUPAC Name: phenethylurea; 2,2,2-trifluoroacetic acid Traditional Name: phenethylurea; 2,2,2-trifluoroacetic acid Formula: C11H13F3N2O3 MolecularWeight: 278.22773

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC(=O)N.C(=O)(C(F)(F)F)O

Isomeric SMILES

C1=CC=C(C=C1)CCNC(=O)N.C(=O)(C(F)(F)F)O

InChI

InChI=1S/C9H12N2O.C2HF3O2/c10-9(12)11-7-6-8-4-2-1-3-5-8;3-2(4,5)1(6)7/h1-5H,6-7H2,(H3,10,11,12);(H,6,7)