2-[4-[2-butoxy-3,3,3-tris(fluoranyl)propoxy]phenyl]-5-hexyl-pyrimidine

Systemtic Name: 2-[4-[2-butoxy-3,3,3-tris(fluoranyl)propoxy]phenyl]-5-hexyl-pyrimidine Openeye Name: 2-[4-(2-butoxy-3,3,3-trifluoro-propoxy)phenyl]-5-hexyl-pyrimidine CAS Name: 2-[4-(2-butoxy-3,3,3-trifluoropropoxy)phenyl]-5-hexylpyrimidine IUPAC Name: 2-[4-(2-butoxy-3,3,3-trifluoropropoxy)phenyl]-5-hexylpyrimidine Traditional Name: 2-[4-(2-butoxy-3,3,3-trifluoro-propoxy)phenyl]-5-hexyl-pyrimidine Formula: C23H31F3N2O2 MolecularWeight: 424.49965

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(C(F)(F)F)OCCCC

Isomeric SMILES

CCCCCCC1=CN=C(N=C1)C2=CC=C(C=C2)OCC(C(F)(F)F)OCCCC

InChI

InChI=1S/C23H31F3N2O2/c1-3-5-7-8-9-18-15-27-22(28-16-18)19-10-12-20(13-11-19)30-17-21(23(24,25)26)29-14-6-4-2/h10-13,15-16,21H,3-9,14,17H2,1-2H3