5-octyl-2-[3,4,5-tris(fluoranyl)phenyl]pyrimidine

Systemtic Name: 5-octyl-2-[3,4,5-tris(fluoranyl)phenyl]pyrimidine Openeye Name: 5-octyl-2-(3,4,5-trifluorophenyl)pyrimidine CAS Name: 5-octyl-2-(3,4,5-trifluorophenyl)pyrimidine IUPAC Name: 5-octyl-2-(3,4,5-trifluorophenyl)pyrimidine Traditional Name: 5-octyl-2-(3,4,5-trifluorophenyl)pyrimidine Formula: C18H21F3N2 MolecularWeight: 322.36795

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C(=C2)F)F)F

Isomeric SMILES

CCCCCCCCC1=CN=C(N=C1)C2=CC(=C(C(=C2)F)F)F

InChI

InChI=1S/C18H21F3N2/c1-2-3-4-5-6-7-8-13-11-22-18(23-12-13)14-9-15(19)17(21)16(20)10-14/h9-12H,2-8H2,1H3