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

Systemtic Name: 2-[2,3-bis(fluoranyl)-4-(2-fluoranyloctyl)phenyl]-5-octyl-pyrimidine Openeye Name: 2-[2,3-difluoro-4-(2-fluorooctyl)phenyl]-5-octyl-pyrimidine CAS Name: 2-[2,3-difluoro-4-(2-fluorooctyl)phenyl]-5-octylpyrimidine IUPAC Name: 2-[2,3-difluoro-4-(2-fluorooctyl)phenyl]-5-octylpyrimidine Traditional Name: 2-[2,3-difluoro-4-(2-fluorooctyl)phenyl]-5-octyl-pyrimidine Formula: C26H37F3N2 MolecularWeight: 434.58059

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H37F3N2/c1-3-5-7-9-10-11-13-20-18-30-26(31-19-20)23-16-15-21(24(28)25(23)29)17-22(27)14-12-8-6-4-2/h15-16,18-19,22H,3-14,17H2,1-2H3