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

C167H150F40O12 — CID 159667374

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

5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]oxane (PubChem CID 159667374) has the molecular formula C167H150F40O12 and a molecular weight of 3108.94 g/mol. Its IUPAC name is 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]oxane.

Molecular Properties

• Compound Name: 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]oxane
• PubChem CID: 159667374
• Molecular Formula: C167H150F40O12
• Molecular Weight: 3108.94 g/mol
• Exact Mass: 3107.05
• IUPAC Name: 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]oxane
• SMILES: CCCCCc1cc(F)c(OCC2CCC(c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1.CCCCCc1cc(F)c(OCC2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1.CCCCc1cc(F)c(OCC2CCC(c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1.CCCCc1cc(F)c(OCC2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1.CCCc1cc(F)c(OCC2CCC(c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1.CCc1cc(F)c(OCC2CCC(c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1
• InChI: InChI=1S/C29H27F7O2.C29H28F6O2.C28H25F7O2.C28H26F6O2.C27H23F7O2.C26H21F7O2/c1-2-3-4-5-16-8-24(34)29(25(35)9-16)38-15-17-6-7-26(37-14-17)18-10-20(30)27(21(31)11-18)19-12-22(32)28(36)23(33)13-19;1-2-3-4-5-17-10-25(33)29(26(34)11-17)37-16-18-6-9-27(36-15-18)19-7-8-21(22(30)12-19)20-13-23(31)28(35)24(32)14-20;1-2-3-4-15-7-23(33)28(24(34)8-15)37-14-16-5-6-25(36-13-16)17-9-19(29)26(20(30)10-17)18-11-21(31)27(35)22(32)12-18;1-2-3-4-16-9-24(32)28(25(33)10-16)36-15-17-5-8-26(35-14-17)18-6-7-20(21(29)11-18)19-12-22(30)27(34)23(31)13-19;1-2-3-14-6-22(32)27(23(33)7-14)36-13-15-4-5-24(35-12-15)16-8-18(28)25(19(29)9-16)17-10-20(30)26(34)21(31)11-17;1-2-13-5-21(31)26(22(32)6-13)35-12-14-3-4-23(34-11-14)15-7-17(27)24(18(28)8-15)16-9-19(29)25(33)20(30)10-16/h8-13,17,26H,2-7,14-15H2,1H3;7-8,10-14,18,27H,2-6,9,15-16H2,1H3;7-12,16,25H,2-6,13-14H2,1H3;6-7,9-13,17,26H,2-5,8,14-15H2,1H3;6-11,15,24H,2-5,12-13H2,1H3;5-10,14,23H,2-4,11-12H2,1H3
• InChIKey: MTOTWKZNJRUDOX-UHFFFAOYSA-N
• XLogP: 48.63
• TPSA: 110.76 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 47
• Heavy Atoms: 219
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3108.94
LogP ≤ 5	48.63
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]oxane;5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]oxane?

The IUPAC name of 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]oxane (CID 159667374) is 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]oxane.

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

The canonical SMILES for 5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]oxane is CCCCCc1cc(F)c(OCC2CCC(c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1.CCCCCc1cc(F)c(OCC2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1.CCCCc1cc(F)c(OCC2CCC(c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1.CCCCc1cc(F)c(OCC2CCC(c3ccc(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1.CCCc1cc(F)c(OCC2CCC(c3cc(F)c(-c4cc(F)c(F)c(F)c4)c(F)c3)OC2)c(F)c1.CCc1cc(F)c(OCC2CCC(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]oxane;5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]oxane?

The InChIKey is MTOTWKZNJRUDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F7O2.C29H28F6O2.C28H25F7O2.C28H26F6O2.C27H23F7O2.C26H21F7O2/c1-2-3-4-5-16-8-24(34)29(25(35)9-16)38-15-17-6-7-26(37-14-17)18-10-20(30)27(21(31)11-18)19-12-22(32)28(36)23(33)13-19;1-2-3-4-5-17-10-25(33)29(26(34)11-17)37-16-18-6-9-27(36-15-18)19-7-8-21(22(30)12-19)20-13-23(31)28(35)24(32)14-20;1-2-3-4-15-7-23(33)28(24(34)8-15)37-14-16-5-6-25(36-13-16)17-9-19(29)26(20(30)10-17)18-11-21(31)27(35)22(32)12-18;1-2-3-4-16-9-24(32)28(25(33)10-16)36-15-17-5-8-26(35-14-17)18-6-7-20(21(29)11-18)19-12-22(30)27(34)23(31)13-19;1-2-3-14-6-22(32)27(23(33)7-14)36-13-15-4-5-24(35-12-15)16-8-18(28)25(19(29)9-16)17-10-20(30)26(34)21(31)11-17;1-2-13-5-21(31)26(22(32)6-13)35-12-14-3-4-23(34-11-14)15-7-17(27)24(18(28)8-15)16-9-19(29)25(33)20(30)10-16/h8-13,17,26H,2-7,14-15H2,1H3;7-8,10-14,18,27H,2-6,9,15-16H2,1H3;7-12,16,25H,2-6,13-14H2,1H3;6-7,9-13,17,26H,2-5,8,14-15H2,1H3;6-11,15,24H,2-5,12-13H2,1H3;5-10,14,23H,2-4,11-12H2,1H3.

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

5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]oxane has a molecular weight of 3108.94 g/mol, XLogP of 48.63, 47 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]oxane;5-[(4-butyl-2,6-difluorophenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-pentylphenoxy)methyl]-2-[3-fluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;5-[(2,6-difluoro-4-propylphenoxy)methyl]-2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]oxane;2-[3,5-difluoro-4-(3,4,5-trifluorophenyl)phenyl]-5-[(4-ethyl-2,6-difluorophenoxy)methyl]oxane is sourced from PubChem (CID 159667374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).