5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;2-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[4-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane

C92H62F32O8 — CID 159916972

About 5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;2-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[4-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane

5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;2-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[4-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane (PubChem CID 159916972) has the molecular formula C92H62F32O8 and a molecular weight of 1903.44 g/mol. Its IUPAC name is 5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;2-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[4-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane.

Molecular Properties

• Compound Name: 5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;2-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[4-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane
• PubChem CID: 159916972
• Molecular Formula: C92H62F32O8
• Molecular Weight: 1903.44 g/mol
• Exact Mass: 1902.39
• IUPAC Name: 5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;2-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[4-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane
• SMILES: CCCC1COC(c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(O/C=C/C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(O/C=C/C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(O/C=C/C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1
• InChI: InChI=1S/C32H20F12O2.C31H20F10O2.C29H22F10O4/c1-2-3-4-16-5-6-20(21(33)9-16)17-10-22(34)28(23(35)11-17)18-12-24(36)29(25(37)13-18)32(43,44)46-19-14-26(38)30(27(39)15-19)45-8-7-31(40,41)42;1-2-3-17-4-6-18(7-5-17)19-8-9-22(23(32)12-19)20-13-24(33)28(25(34)14-20)31(40,41)43-21-15-26(35)29(27(36)16-21)42-11-10-30(37,38)39;1-2-3-15-13-41-27(42-14-15)16-4-5-19(20(30)8-16)17-9-21(31)25(22(32)10-17)29(38,39)43-18-11-23(33)26(24(34)12-18)40-7-6-28(35,36)37/h5-15H,2-4H2,1H3;4-16H,2-3H2,1H3;4-12,15,27H,2-3,13-14H2,1H3/b8-7+;11-10+;7-6+
• InChIKey: NXXDBCPLMKBWTK-LJOKVAIFSA-N
• XLogP: 30.27
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 28
• Heavy Atoms: 132
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1903.44
LogP ≤ 5	30.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;2-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[4-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane?

The IUPAC name of 5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;2-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[4-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane (CID 159916972) is 5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;2-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[4-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane.

What is the SMILES notation for 5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;2-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[4-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane?

The canonical SMILES for 5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;2-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[4-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane is CCCC1COC(c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(O/C=C/C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)OC1.CCCCc1ccc(-c2cc(F)c(-c3cc(F)c(C(F)(F)Oc4cc(F)c(O/C=C/C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)c(F)c1.CCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(O/C=C/C(F)(F)F)c(F)c4)c(F)c3)c(F)c2)cc1.

What is the InChIKey of 5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;2-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[4-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane?

The InChIKey is NXXDBCPLMKBWTK-LJOKVAIFSA-N. The full InChI is InChI=1S/C32H20F12O2.C31H20F10O2.C29H22F10O4/c1-2-3-4-16-5-6-20(21(33)9-16)17-10-22(34)28(23(35)11-17)18-12-24(36)29(25(37)13-18)32(43,44)46-19-14-26(38)30(27(39)15-19)45-8-7-31(40,41)42;1-2-3-17-4-6-18(7-5-17)19-8-9-22(23(32)12-19)20-13-24(33)28(25(34)14-20)31(40,41)43-21-15-26(35)29(27(36)16-21)42-11-10-30(37,38)39;1-2-3-15-13-41-27(42-14-15)16-4-5-19(20(30)8-16)17-9-21(31)25(22(32)10-17)29(38,39)43-18-11-23(33)26(24(34)12-18)40-7-6-28(35,36)37/h5-15H,2-4H2,1H3;4-16H,2-3H2,1H3;4-12,15,27H,2-3,13-14H2,1H3/b8-7+;11-10+;7-6+.

What are the key properties of 5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;2-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[4-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane?

5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;2-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[4-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane has a molecular weight of 1903.44 g/mol, XLogP of 30.27, 28 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-butyl-2-fluorophenyl)-2-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-difluorobenzene;2-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[4-[4-[[3,5-difluoro-4-[(E)-3,3,3-trifluoroprop-1-enoxy]phenoxy]-difluoromethyl]-3,5-difluorophenyl]-3-fluorophenyl]-5-propyl-1,3-dioxane is sourced from PubChem (CID 159916972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).