5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]-1,3-dioxane

C106H88F28O12 — CID 159185099

About 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]-1,3-dioxane

5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]-1,3-dioxane (PubChem CID 159185099) has the molecular formula C106H88F28O12 and a molecular weight of 2085.80 g/mol. Its IUPAC name is 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]-1,3-dioxane.

Molecular Properties

• Compound Name: 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]-1,3-dioxane
• PubChem CID: 159185099
• Molecular Formula: C106H88F28O12
• Molecular Weight: 2085.80 g/mol
• Exact Mass: 2084.58
• IUPAC Name: 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]-1,3-dioxane
• SMILES: CCCCCc1cc(F)c(OCC2COC(c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1.CCCCc1cc(F)c(OCC2COC(c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1.CCCc1cc(F)c(OCC2COC(c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1.CCc1cc(F)c(OCC2COC(c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1
• InChI: InChI=1S/C28H25F7O3.C27H23F7O3.C26H21F7O3.C25H19F7O3/c1-2-3-4-5-15-6-23(33)27(24(34)7-15)36-12-16-13-37-28(38-14-16)18-10-19(29)25(20(30)11-18)17-8-21(31)26(35)22(32)9-17;1-2-3-4-14-5-22(32)26(23(33)6-14)35-11-15-12-36-27(37-13-15)17-9-18(28)24(19(29)10-17)16-7-20(30)25(34)21(31)8-16;1-2-3-13-4-21(31)25(22(32)5-13)34-10-14-11-35-26(36-12-14)16-8-17(27)23(18(28)9-16)15-6-19(29)24(33)20(30)7-15;1-2-12-3-20(30)24(21(31)4-12)33-9-13-10-34-25(35-11-13)15-7-16(26)22(17(27)8-15)14-5-18(28)23(32)19(29)6-14/h6-11,16,28H,2-5,12-14H2,1H3;5-10,15,27H,2-4,11-13H2,1H3;4-9,14,26H,2-3,10-12H2,1H3;3-8,13,25H,2,9-11H2,1H3
• InChIKey: KNJRDIAQZLZDQP-UHFFFAOYSA-N
• XLogP: 28.86
• TPSA: 110.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 30
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2085.80
LogP ≤ 5	28.86
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]-1,3-dioxane?

The IUPAC name of 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]-1,3-dioxane (CID 159185099) is 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]-1,3-dioxane.

What is the SMILES notation for 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]-1,3-dioxane?

The canonical SMILES for 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]-1,3-dioxane is CCCCCc1cc(F)c(OCC2COC(c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1.CCCCc1cc(F)c(OCC2COC(c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1.CCCc1cc(F)c(OCC2COC(c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1.CCc1cc(F)c(OCC2COC(c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1.

What is the InChIKey of 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]-1,3-dioxane?

The InChIKey is KNJRDIAQZLZDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25F7O3.C27H23F7O3.C26H21F7O3.C25H19F7O3/c1-2-3-4-5-15-6-23(33)27(24(34)7-15)36-12-16-13-37-28(38-14-16)18-10-19(29)25(20(30)11-18)17-8-21(31)26(35)22(32)9-17;1-2-3-4-14-5-22(32)26(23(33)6-14)35-11-15-12-36-27(37-13-15)17-9-18(28)24(19(29)10-17)16-7-20(30)25(34)21(31)8-16;1-2-3-13-4-21(31)25(22(32)5-13)34-10-14-11-35-26(36-12-14)16-8-17(27)23(18(28)9-16)15-6-19(29)24(33)20(30)7-15;1-2-12-3-20(30)24(21(31)4-12)33-9-13-10-34-25(35-11-13)15-7-16(26)22(17(27)8-15)14-5-18(28)23(32)19(29)6-14/h6-11,16,28H,2-5,12-14H2,1H3;5-10,15,27H,2-4,11-13H2,1H3;4-9,14,26H,2-3,10-12H2,1H3;3-8,13,25H,2,9-11H2,1H3.

What are the key properties of 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]-1,3-dioxane?

5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]-1,3-dioxane has a molecular weight of 2085.80 g/mol, XLogP of 28.86, 30 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-1,3-dioxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]-1,3-dioxane is sourced from PubChem (CID 159185099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).