5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]phenyl]-1,3-dioxane

C110H97F39O20 — CID 160630264

About 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]phenyl]-1,3-dioxane

5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]phenyl]-1,3-dioxane (PubChem CID 160630264) has the molecular formula C110H97F39O20 and a molecular weight of 2479.89 g/mol. Its IUPAC name is 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]phenyl]-1,3-dioxane.

Molecular Properties

• Compound Name: 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]phenyl]-1,3-dioxane
• PubChem CID: 160630264
• Molecular Formula: C110H97F39O20
• Molecular Weight: 2479.89 g/mol
• Exact Mass: 2478.60
• IUPAC Name: 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]phenyl]-1,3-dioxane
• SMILES: Fc1cc(C2OCC(C3CCC3)CO2)ccc1C(F)(F)Oc1cc(F)c(OC(F)(F)F)c(F)c1.Fc1cc(OC(F)(F)C2CCC(C3OCC(C4CCC4)CO3)CC2)cc(F)c1OC(F)(F)F.Fc1cc(OC(F)(F)c2c(F)cc(C3OCC(C4CCC4)CO3)cc2F)cc(F)c1OC(F)(F)F.Fc1cc(OC(F)(F)c2c(F)cc(C3OCC(C4CCC4)CO3)cc2F)ccc1OC(F)(F)F.Fc1cc(OC(F)(F)c2ccc(C3OCC(C4CCC4)CO3)cc2)cc(F)c1OC(F)(F)F
• InChI: InChI=1S/C22H17F9O4.2C22H18F8O4.C22H25F7O4.C22H19F7O4/c23-14-4-11(20-32-8-12(9-33-20)10-2-1-3-10)5-15(24)18(14)21(27,28)34-13-6-16(25)19(17(26)7-13)35-22(29,30)31;23-15-8-14(4-5-18(15)34-22(28,29)30)33-21(26,27)19-16(24)6-12(7-17(19)25)20-31-9-13(10-32-20)11-2-1-3-11;23-16-6-12(20-31-9-13(10-32-20)11-2-1-3-11)4-5-15(16)21(26,27)33-14-7-17(24)19(18(25)8-14)34-22(28,29)30;2*23-17-8-16(9-18(24)19(17)33-22(27,28)29)32-21(25,26)15-6-4-13(5-7-15)20-30-10-14(11-31-20)12-2-1-3-12/h4-7,10,12,20H,1-3,8-9H2;2*4-8,11,13,20H,1-3,9-10H2;8-9,12-15,20H,1-7,10-11H2;4-9,12,14,20H,1-3,10-11H2
• InChIKey: RHVHMKYOXALTPD-UHFFFAOYSA-N
• XLogP: 32.80
• TPSA: 184.60 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 30
• Heavy Atoms: 169
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2479.89
LogP ≤ 5	32.80
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]phenyl]-1,3-dioxane?

The IUPAC name of 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]phenyl]-1,3-dioxane (CID 160630264) is 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]phenyl]-1,3-dioxane.

What is the SMILES notation for 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]phenyl]-1,3-dioxane?

The canonical SMILES for 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]phenyl]-1,3-dioxane is Fc1cc(C2OCC(C3CCC3)CO2)ccc1C(F)(F)Oc1cc(F)c(OC(F)(F)F)c(F)c1.Fc1cc(OC(F)(F)C2CCC(C3OCC(C4CCC4)CO3)CC2)cc(F)c1OC(F)(F)F.Fc1cc(OC(F)(F)c2c(F)cc(C3OCC(C4CCC4)CO3)cc2F)cc(F)c1OC(F)(F)F.Fc1cc(OC(F)(F)c2c(F)cc(C3OCC(C4CCC4)CO3)cc2F)ccc1OC(F)(F)F.Fc1cc(OC(F)(F)c2ccc(C3OCC(C4CCC4)CO3)cc2)cc(F)c1OC(F)(F)F.

What is the InChIKey of 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]phenyl]-1,3-dioxane?

The InChIKey is RHVHMKYOXALTPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17F9O4.2C22H18F8O4.C22H25F7O4.C22H19F7O4/c23-14-4-11(20-32-8-12(9-33-20)10-2-1-3-10)5-15(24)18(14)21(27,28)34-13-6-16(25)19(17(26)7-13)35-22(29,30)31;23-15-8-14(4-5-18(15)34-22(28,29)30)33-21(26,27)19-16(24)6-12(7-17(19)25)20-31-9-13(10-32-20)11-2-1-3-11;23-16-6-12(20-31-9-13(10-32-20)11-2-1-3-11)4-5-15(16)21(26,27)33-14-7-17(24)19(18(25)8-14)34-22(28,29)30;2*23-17-8-16(9-18(24)19(17)33-22(27,28)29)32-21(25,26)15-6-4-13(5-7-15)20-30-10-14(11-31-20)12-2-1-3-12/h4-7,10,12,20H,1-3,8-9H2;2*4-8,11,13,20H,1-3,9-10H2;8-9,12-15,20H,1-7,10-11H2;4-9,12,14,20H,1-3,10-11H2.

What are the key properties of 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]phenyl]-1,3-dioxane?

5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]phenyl]-1,3-dioxane has a molecular weight of 2479.89 g/mol, XLogP of 32.80, 30 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclobutyl-2-[4-[difluoro-[3-fluoro-4-(trifluoromethoxy)phenoxy]methyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]cyclohexyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3,5-difluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]-3-fluorophenyl]-1,3-dioxane;5-cyclobutyl-2-[4-[[3,5-difluoro-4-(trifluoromethoxy)phenoxy]-difluoromethyl]phenyl]-1,3-dioxane is sourced from PubChem (CID 160630264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).