1-[7-[2,3-difluoro-4-(4-methylphenyl)phenoxy]-4-(trifluoromethyl)heptoxy]-2,3-difluoro-4-(4-methylphenyl)benzene;1-[4-[4-ethenyl-7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]heptoxy]-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-4-[4-[7-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-4-ethylheptoxy]phenyl]-2-methyl-3-(trifluoromethyl)benzene;1-ethoxy-4-[4-[7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]-4,4-difluoroheptoxy]-2-fluorophenyl]-2,3-difluorobenzene;3-[3-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]oxypropyl]-6-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-3-fluorophenoxy]hexan-1-ol

C186H193F39O19 — CID 158866387

About 1-[7-[2,3-difluoro-4-(4-methylphenyl)phenoxy]-4-(trifluoromethyl)heptoxy]-2,3-difluoro-4-(4-methylphenyl)benzene;1-[4-[4-ethenyl-7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]heptoxy]-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-4-[4-[7-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-4-ethylheptoxy]phenyl]-2-methyl-3-(trifluoromethyl)benzene;1-ethoxy-4-[4-[7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]-4,4-difluoroheptoxy]-2-fluorophenyl]-2,3-difluorobenzene;3-[3-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]oxypropyl]-6-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-3-fluorophenoxy]hexan-1-ol

1-[7-[2,3-difluoro-4-(4-methylphenyl)phenoxy]-4-(trifluoromethyl)heptoxy]-2,3-difluoro-4-(4-methylphenyl)benzene;1-[4-[4-ethenyl-7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]heptoxy]-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-4-[4-[7-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-4-ethylheptoxy]phenyl]-2-methyl-3-(trifluoromethyl)benzene;1-ethoxy-4-[4-[7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]-4,4-difluoroheptoxy]-2-fluorophenyl]-2,3-difluorobenzene;3-[3-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]oxypropyl]-6-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-3-fluorophenoxy]hexan-1-ol (PubChem CID 158866387) has the molecular formula C186H193F39O19 and a molecular weight of 3473.49 g/mol. Its IUPAC name is 1-[7-[2,3-difluoro-4-(4-methylphenyl)phenoxy]-4-(trifluoromethyl)heptoxy]-2,3-difluoro-4-(4-methylphenyl)benzene;1-[4-[4-ethenyl-7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]heptoxy]-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-4-[4-[7-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-4-ethylheptoxy]phenyl]-2-methyl-3-(trifluoromethyl)benzene;1-ethoxy-4-[4-[7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]-4,4-difluoroheptoxy]-2-fluorophenyl]-2,3-difluorobenzene;3-[3-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]oxypropyl]-6-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-3-fluorophenoxy]hexan-1-ol.

Molecular Properties

• Compound Name: 1-[7-[2,3-difluoro-4-(4-methylphenyl)phenoxy]-4-(trifluoromethyl)heptoxy]-2,3-difluoro-4-(4-methylphenyl)benzene;1-[4-[4-ethenyl-7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]heptoxy]-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-4-[4-[7-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-4-ethylheptoxy]phenyl]-2-methyl-3-(trifluoromethyl)benzene;1-ethoxy-4-[4-[7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]-4,4-difluoroheptoxy]-2-fluorophenyl]-2,3-difluorobenzene;3-[3-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]oxypropyl]-6-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-3-fluorophenoxy]hexan-1-ol
• PubChem CID: 158866387
• Molecular Formula: C186H193F39O19
• Molecular Weight: 3473.49 g/mol
• Exact Mass: 3471.35
• IUPAC Name: 1-[7-[2,3-difluoro-4-(4-methylphenyl)phenoxy]-4-(trifluoromethyl)heptoxy]-2,3-difluoro-4-(4-methylphenyl)benzene;1-[4-[4-ethenyl-7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]heptoxy]-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-4-[4-[7-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-4-ethylheptoxy]phenyl]-2-methyl-3-(trifluoromethyl)benzene;1-ethoxy-4-[4-[7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]-4,4-difluoroheptoxy]-2-fluorophenyl]-2,3-difluorobenzene;3-[3-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]oxypropyl]-6-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-3-fluorophenoxy]hexan-1-ol
• SMILES: C=CC(CCCOc1ccc(-c2ccc(OCC)c(F)c2F)c(F)c1)CCCOc1ccc(-c2ccc(OCC)c(F)c2F)c(F)c1.CCOc1ccc(-c2ccc(OCCCC(CC)CCCOC3CCC(c4ccc(OCC)c(C(F)(F)F)c4C(F)(F)F)CC3)cc2)c(C(F)(F)F)c1C.CCOc1ccc(-c2ccc(OCCCC(CCO)CCCOC3CCC(c4ccc(OCC)c(F)c4C(F)(F)F)CC3)cc2F)c(C(F)(F)F)c1F.CCOc1ccc(-c2ccc(OCCCC(F)(F)CCCOc3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3)cc2F)c(F)c1F.Cc1ccc(-c2ccc(OCCCC(CCCOc3ccc(-c4ccc(C)cc4)c(F)c3F)C(F)(F)F)c(F)c2F)cc1
• InChI: InChI=1S/C41H49F9O4.C39H45F9O5.C37H36F6O4.C35H32F8O4.C34H31F7O2/c1-5-27(10-8-24-53-30-16-12-28(13-17-30)32-20-22-34(51-6-2)26(4)36(32)39(42,43)44)11-9-25-54-31-18-14-29(15-19-31)33-21-23-35(52-7-3)38(41(48,49)50)37(33)40(45,46)47;1-3-50-32-17-15-28(34(36(32)41)38(43,44)45)25-9-11-26(12-10-25)52-21-5-7-24(19-20-49)8-6-22-53-27-13-14-29(31(40)23-27)30-16-18-33(51-4-2)37(42)35(30)39(46,47)48;1-4-23(9-7-19-46-24-11-13-26(30(38)21-24)28-15-17-32(44-5-2)36(42)34(28)40)10-8-20-47-25-12-14-27(31(39)22-25)29-16-18-33(45-6-3)37(43)35(29)41;1-3-44-29-13-11-25(31(38)33(29)40)23-9-7-21(19-27(23)36)46-17-5-15-35(42,43)16-6-18-47-22-8-10-24(28(37)20-22)26-12-14-30(45-4-2)34(41)32(26)39;1-21-7-11-23(12-8-21)26-15-17-28(32(37)30(26)35)42-19-3-5-25(34(39,40)41)6-4-20-43-29-18-16-27(31(36)33(29)38)24-13-9-22(2)10-14-24/h12-13,16-17,20-23,27,29,31H,5-11,14-15,18-19,24-25H2,1-4H3;13-18,23-26,49H,3-12,19-22H2,1-2H3;4,11-18,21-23H,1,5-10,19-20H2,2-3H3;7-14,19-20H,3-6,15-18H2,1-2H3;7-18,25H,3-6,19-20H2,1-2H3
• InChIKey: JBHAXVCHOMGDDL-UHFFFAOYSA-N
• XLogP: 55.68
• TPSA: 186.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 80
• Heavy Atoms: 244
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3473.49
LogP ≤ 5	55.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[7-[2,3-difluoro-4-(4-methylphenyl)phenoxy]-4-(trifluoromethyl)heptoxy]-2,3-difluoro-4-(4-methylphenyl)benzene;1-[4-[4-ethenyl-7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]heptoxy]-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-4-[4-[7-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-4-ethylheptoxy]phenyl]-2-methyl-3-(trifluoromethyl)benzene;1-ethoxy-4-[4-[7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]-4,4-difluoroheptoxy]-2-fluorophenyl]-2,3-difluorobenzene;3-[3-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]oxypropyl]-6-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-3-fluorophenoxy]hexan-1-ol?

The IUPAC name of 1-[7-[2,3-difluoro-4-(4-methylphenyl)phenoxy]-4-(trifluoromethyl)heptoxy]-2,3-difluoro-4-(4-methylphenyl)benzene;1-[4-[4-ethenyl-7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]heptoxy]-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-4-[4-[7-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-4-ethylheptoxy]phenyl]-2-methyl-3-(trifluoromethyl)benzene;1-ethoxy-4-[4-[7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]-4,4-difluoroheptoxy]-2-fluorophenyl]-2,3-difluorobenzene;3-[3-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]oxypropyl]-6-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-3-fluorophenoxy]hexan-1-ol (CID 158866387) is 1-[7-[2,3-difluoro-4-(4-methylphenyl)phenoxy]-4-(trifluoromethyl)heptoxy]-2,3-difluoro-4-(4-methylphenyl)benzene;1-[4-[4-ethenyl-7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]heptoxy]-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-4-[4-[7-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-4-ethylheptoxy]phenyl]-2-methyl-3-(trifluoromethyl)benzene;1-ethoxy-4-[4-[7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]-4,4-difluoroheptoxy]-2-fluorophenyl]-2,3-difluorobenzene;3-[3-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]oxypropyl]-6-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-3-fluorophenoxy]hexan-1-ol.

What is the SMILES notation for 1-[7-[2,3-difluoro-4-(4-methylphenyl)phenoxy]-4-(trifluoromethyl)heptoxy]-2,3-difluoro-4-(4-methylphenyl)benzene;1-[4-[4-ethenyl-7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]heptoxy]-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-4-[4-[7-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-4-ethylheptoxy]phenyl]-2-methyl-3-(trifluoromethyl)benzene;1-ethoxy-4-[4-[7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]-4,4-difluoroheptoxy]-2-fluorophenyl]-2,3-difluorobenzene;3-[3-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]oxypropyl]-6-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-3-fluorophenoxy]hexan-1-ol?

The canonical SMILES for 1-[7-[2,3-difluoro-4-(4-methylphenyl)phenoxy]-4-(trifluoromethyl)heptoxy]-2,3-difluoro-4-(4-methylphenyl)benzene;1-[4-[4-ethenyl-7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]heptoxy]-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-4-[4-[7-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-4-ethylheptoxy]phenyl]-2-methyl-3-(trifluoromethyl)benzene;1-ethoxy-4-[4-[7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]-4,4-difluoroheptoxy]-2-fluorophenyl]-2,3-difluorobenzene;3-[3-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]oxypropyl]-6-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-3-fluorophenoxy]hexan-1-ol is C=CC(CCCOc1ccc(-c2ccc(OCC)c(F)c2F)c(F)c1)CCCOc1ccc(-c2ccc(OCC)c(F)c2F)c(F)c1.CCOc1ccc(-c2ccc(OCCCC(CC)CCCOC3CCC(c4ccc(OCC)c(C(F)(F)F)c4C(F)(F)F)CC3)cc2)c(C(F)(F)F)c1C.CCOc1ccc(-c2ccc(OCCCC(CCO)CCCOC3CCC(c4ccc(OCC)c(F)c4C(F)(F)F)CC3)cc2F)c(C(F)(F)F)c1F.CCOc1ccc(-c2ccc(OCCCC(F)(F)CCCOc3ccc(-c4ccc(OCC)c(F)c4F)c(F)c3)cc2F)c(F)c1F.Cc1ccc(-c2ccc(OCCCC(CCCOc3ccc(-c4ccc(C)cc4)c(F)c3F)C(F)(F)F)c(F)c2F)cc1.

What is the InChIKey of 1-[7-[2,3-difluoro-4-(4-methylphenyl)phenoxy]-4-(trifluoromethyl)heptoxy]-2,3-difluoro-4-(4-methylphenyl)benzene;1-[4-[4-ethenyl-7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]heptoxy]-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-4-[4-[7-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-4-ethylheptoxy]phenyl]-2-methyl-3-(trifluoromethyl)benzene;1-ethoxy-4-[4-[7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]-4,4-difluoroheptoxy]-2-fluorophenyl]-2,3-difluorobenzene;3-[3-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]oxypropyl]-6-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-3-fluorophenoxy]hexan-1-ol?

The InChIKey is JBHAXVCHOMGDDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C41H49F9O4.C39H45F9O5.C37H36F6O4.C35H32F8O4.C34H31F7O2/c1-5-27(10-8-24-53-30-16-12-28(13-17-30)32-20-22-34(51-6-2)26(4)36(32)39(42,43)44)11-9-25-54-31-18-14-29(15-19-31)33-21-23-35(52-7-3)38(41(48,49)50)37(33)40(45,46)47;1-3-50-32-17-15-28(34(36(32)41)38(43,44)45)25-9-11-26(12-10-25)52-21-5-7-24(19-20-49)8-6-22-53-27-13-14-29(31(40)23-27)30-16-18-33(51-4-2)37(42)35(30)39(46,47)48;1-4-23(9-7-19-46-24-11-13-26(30(38)21-24)28-15-17-32(44-5-2)36(42)34(28)40)10-8-20-47-25-12-14-27(31(39)22-25)29-16-18-33(45-6-3)37(43)35(29)41;1-3-44-29-13-11-25(31(38)33(29)40)23-9-7-21(19-27(23)36)46-17-5-15-35(42,43)16-6-18-47-22-8-10-24(28(37)20-22)26-12-14-30(45-4-2)34(41)32(26)39;1-21-7-11-23(12-8-21)26-15-17-28(32(37)30(26)35)42-19-3-5-25(34(39,40)41)6-4-20-43-29-18-16-27(31(36)33(29)38)24-13-9-22(2)10-14-24/h12-13,16-17,20-23,27,29,31H,5-11,14-15,18-19,24-25H2,1-4H3;13-18,23-26,49H,3-12,19-22H2,1-2H3;4,11-18,21-23H,1,5-10,19-20H2,2-3H3;7-14,19-20H,3-6,15-18H2,1-2H3;7-18,25H,3-6,19-20H2,1-2H3.

What are the key properties of 1-[7-[2,3-difluoro-4-(4-methylphenyl)phenoxy]-4-(trifluoromethyl)heptoxy]-2,3-difluoro-4-(4-methylphenyl)benzene;1-[4-[4-ethenyl-7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]heptoxy]-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-4-[4-[7-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-4-ethylheptoxy]phenyl]-2-methyl-3-(trifluoromethyl)benzene;1-ethoxy-4-[4-[7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]-4,4-difluoroheptoxy]-2-fluorophenyl]-2,3-difluorobenzene;3-[3-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]oxypropyl]-6-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-3-fluorophenoxy]hexan-1-ol?

1-[7-[2,3-difluoro-4-(4-methylphenyl)phenoxy]-4-(trifluoromethyl)heptoxy]-2,3-difluoro-4-(4-methylphenyl)benzene;1-[4-[4-ethenyl-7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]heptoxy]-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-4-[4-[7-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-4-ethylheptoxy]phenyl]-2-methyl-3-(trifluoromethyl)benzene;1-ethoxy-4-[4-[7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]-4,4-difluoroheptoxy]-2-fluorophenyl]-2,3-difluorobenzene;3-[3-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]oxypropyl]-6-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-3-fluorophenoxy]hexan-1-ol has a molecular weight of 3473.49 g/mol, XLogP of 55.68, 80 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-[2,3-difluoro-4-(4-methylphenyl)phenoxy]-4-(trifluoromethyl)heptoxy]-2,3-difluoro-4-(4-methylphenyl)benzene;1-[4-[4-ethenyl-7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]heptoxy]-2-fluorophenyl]-4-ethoxy-2,3-difluorobenzene;1-ethoxy-4-[4-[7-[4-[4-ethoxy-2,3-bis(trifluoromethyl)phenyl]cyclohexyl]oxy-4-ethylheptoxy]phenyl]-2-methyl-3-(trifluoromethyl)benzene;1-ethoxy-4-[4-[7-[4-(4-ethoxy-2,3-difluorophenyl)-3-fluorophenoxy]-4,4-difluoroheptoxy]-2-fluorophenyl]-2,3-difluorobenzene;3-[3-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]cyclohexyl]oxypropyl]-6-[4-[4-ethoxy-3-fluoro-2-(trifluoromethyl)phenyl]-3-fluorophenoxy]hexan-1-ol is sourced from PubChem (CID 158866387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).