6-[4-[(4-butyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-pentylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(4-ethyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene

C106H68F32O4 — CID 160686905

About 6-[4-[(4-butyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-pentylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(4-ethyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene

6-[4-[(4-butyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-pentylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(4-ethyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene (PubChem CID 160686905) has the molecular formula C106H68F32O4 and a molecular weight of 2013.64 g/mol. Its IUPAC name is 6-[4-[(4-butyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-pentylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(4-ethyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene.

Molecular Properties

• Compound Name: 6-[4-[(4-butyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-pentylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(4-ethyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene
• PubChem CID: 160686905
• Molecular Formula: C106H68F32O4
• Molecular Weight: 2013.64 g/mol
• Exact Mass: 2012.46
• IUPAC Name: 6-[4-[(4-butyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-pentylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(4-ethyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene
• SMILES: CCCCCc1cc(F)c(C(F)(F)Oc2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)c(F)c1.CCCCc1cc(F)c(C(F)(F)Oc2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)c(F)c1.CCCc1cc(F)c(C(F)(F)Oc2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)c(F)c1.CCc1cc(F)c(C(F)(F)Oc2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)c(F)c1
• InChI: InChI=1S/C28H20F8O.C27H18F8O.C26H16F8O.C25H14F8O/c1-2-3-4-5-15-10-22(30)25(23(31)11-15)28(35,36)37-18-7-9-19(21(29)14-18)16-6-8-20-17(12-16)13-24(32)27(34)26(20)33;1-2-3-4-14-9-21(29)24(22(30)10-14)27(34,35)36-17-6-8-18(20(28)13-17)15-5-7-19-16(11-15)12-23(31)26(33)25(19)32;1-2-3-13-8-20(28)23(21(29)9-13)26(33,34)35-16-5-7-17(19(27)12-16)14-4-6-18-15(10-14)11-22(30)25(32)24(18)31;1-2-12-7-19(27)22(20(28)8-12)25(32,33)34-15-4-6-16(18(26)11-15)13-3-5-17-14(9-13)10-21(29)24(31)23(17)30/h6-14H,2-5H2,1H3;5-13H,2-4H2,1H3;4-12H,2-3H2,1H3;3-11H,2H2,1H3
• InChIKey: ROWPWAWIUDINBV-UHFFFAOYSA-N
• XLogP: 34.47
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 26
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2013.64
LogP ≤ 5	34.47
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

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 6-[4-[(4-butyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-pentylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(4-ethyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene?

The IUPAC name of 6-[4-[(4-butyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-pentylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(4-ethyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene (CID 160686905) is 6-[4-[(4-butyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-pentylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(4-ethyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene.

What is the SMILES notation for 6-[4-[(4-butyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-pentylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(4-ethyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene?

The canonical SMILES for 6-[4-[(4-butyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-pentylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(4-ethyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene is CCCCCc1cc(F)c(C(F)(F)Oc2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)c(F)c1.CCCCc1cc(F)c(C(F)(F)Oc2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)c(F)c1.CCCc1cc(F)c(C(F)(F)Oc2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)c(F)c1.CCc1cc(F)c(C(F)(F)Oc2ccc(-c3ccc4c(F)c(F)c(F)cc4c3)c(F)c2)c(F)c1.

What is the InChIKey of 6-[4-[(4-butyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-pentylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(4-ethyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene?

The InChIKey is ROWPWAWIUDINBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F8O.C27H18F8O.C26H16F8O.C25H14F8O/c1-2-3-4-5-15-10-22(30)25(23(31)11-15)28(35,36)37-18-7-9-19(21(29)14-18)16-6-8-20-17(12-16)13-24(32)27(34)26(20)33;1-2-3-4-14-9-21(29)24(22(30)10-14)27(34,35)36-17-6-8-18(20(28)13-17)15-5-7-19-16(11-15)12-23(31)26(33)25(19)32;1-2-3-13-8-20(28)23(21(29)9-13)26(33,34)35-16-5-7-17(19(27)12-16)14-4-6-18-15(10-14)11-22(30)25(32)24(18)31;1-2-12-7-19(27)22(20(28)8-12)25(32,33)34-15-4-6-16(18(26)11-15)13-3-5-17-14(9-13)10-21(29)24(31)23(17)30/h6-14H,2-5H2,1H3;5-13H,2-4H2,1H3;4-12H,2-3H2,1H3;3-11H,2H2,1H3.

What are the key properties of 6-[4-[(4-butyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-pentylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(4-ethyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene?

6-[4-[(4-butyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-pentylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(4-ethyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene has a molecular weight of 2013.64 g/mol, XLogP of 34.47, 26 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[(4-butyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-pentylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(2,6-difluoro-4-propylphenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene;6-[4-[(4-ethyl-2,6-difluorophenyl)-difluoromethoxy]-2-fluorophenyl]-1,2,3-trifluoronaphthalene is sourced from PubChem (CID 160686905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).