5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene

C145H105F35O5 — CID 160715054

About 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene

5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene (PubChem CID 160715054) has the molecular formula C145H105F35O5 and a molecular weight of 2592.36 g/mol. Its IUPAC name is 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene.

Molecular Properties

• Compound Name: 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene
• PubChem CID: 160715054
• Molecular Formula: C145H105F35O5
• Molecular Weight: 2592.36 g/mol
• Exact Mass: 2590.74
• IUPAC Name: 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene
• SMILES: CCCCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C)c(F)c4)c(F)c3)c(F)c2)cc1.CCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C)c(F)c4)c(F)c3)c(F)c2)cc1.CCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C)c(F)c4)c(F)c3)c(F)c2)cc1.Cc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C)c(F)c4)c(F)c3)c(F)c2)cc1
• InChI: InChI=1S/C31H25F7O.C30H23F7O.C29H21F7O.C28H19F7O.C27H17F7O/c1-3-4-5-6-19-7-9-20(10-8-19)21-11-12-24(27(34)13-21)22-14-28(35)30(29(36)15-22)31(37,38)39-23-16-25(32)18(2)26(33)17-23;1-3-4-5-18-6-8-19(9-7-18)20-10-11-23(26(33)12-20)21-13-27(34)29(28(35)14-21)30(36,37)38-22-15-24(31)17(2)25(32)16-22;1-3-4-17-5-7-18(8-6-17)19-9-10-22(25(32)11-19)20-12-26(33)28(27(34)13-20)29(35,36)37-21-14-23(30)16(2)24(31)15-21;1-3-16-4-6-17(7-5-16)18-8-9-21(24(31)10-18)19-11-25(32)27(26(33)12-19)28(34,35)36-20-13-22(29)15(2)23(30)14-20;1-14-3-5-16(6-4-14)17-7-8-20(23(30)9-17)18-10-24(31)26(25(32)11-18)27(33,34)35-19-12-21(28)15(2)22(29)13-19/h7-17H,3-6H2,1-2H3;6-16H,3-5H2,1-2H3;5-15H,3-4H2,1-2H3;4-14H,3H2,1-2H3;3-13H,1-2H3
• InChIKey: RSIYXLUJVJMMMJ-UHFFFAOYSA-N
• XLogP: 45.66
• TPSA: 46.15 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 35
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2592.36
LogP ≤ 5	45.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene?

The IUPAC name of 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene (CID 160715054) is 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene.

What is the SMILES notation for 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene?

The canonical SMILES for 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene is CCCCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C)c(F)c4)c(F)c3)c(F)c2)cc1.CCCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C)c(F)c4)c(F)c3)c(F)c2)cc1.CCCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C)c(F)c4)c(F)c3)c(F)c2)cc1.CCc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C)c(F)c4)c(F)c3)c(F)c2)cc1.Cc1ccc(-c2ccc(-c3cc(F)c(C(F)(F)Oc4cc(F)c(C)c(F)c4)c(F)c3)c(F)c2)cc1.

What is the InChIKey of 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene?

The InChIKey is RSIYXLUJVJMMMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H25F7O.C30H23F7O.C29H21F7O.C28H19F7O.C27H17F7O/c1-3-4-5-6-19-7-9-20(10-8-19)21-11-12-24(27(34)13-21)22-14-28(35)30(29(36)15-22)31(37,38)39-23-16-25(32)18(2)26(33)17-23;1-3-4-5-18-6-8-19(9-7-18)20-10-11-23(26(33)12-20)21-13-27(34)29(28(35)14-21)30(36,37)38-22-15-24(31)17(2)25(32)16-22;1-3-4-17-5-7-18(8-6-17)19-9-10-22(25(32)11-19)20-12-26(33)28(27(34)13-20)29(35,36)37-21-14-23(30)16(2)24(31)15-21;1-3-16-4-6-17(7-5-16)18-8-9-21(24(31)10-18)19-11-25(32)27(26(33)12-19)28(34,35)36-20-13-22(29)15(2)23(30)14-20;1-14-3-5-16(6-4-14)17-7-8-20(23(30)9-17)18-10-24(31)26(25(32)11-18)27(33,34)35-19-12-21(28)15(2)22(29)13-19/h7-17H,3-6H2,1-2H3;6-16H,3-5H2,1-2H3;5-15H,3-4H2,1-2H3;4-14H,3H2,1-2H3;3-13H,1-2H3.

What are the key properties of 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene?

5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene has a molecular weight of 2592.36 g/mol, XLogP of 45.66, 35 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-(4-butylphenyl)-2-fluorophenyl]-2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluorobenzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-methylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-pentylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-1,3-difluoro-5-[2-fluoro-4-(4-propylphenyl)phenyl]benzene;2-[(3,5-difluoro-4-methylphenoxy)-difluoromethyl]-5-[4-(4-ethylphenyl)-2-fluorophenyl]-1,3-difluorobenzene is sourced from PubChem (CID 160715054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).