5-butyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]oxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-ethyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-pentyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-propyloxane

C110H96F28O8 — CID 162016466

About 5-butyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]oxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-ethyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-pentyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-propyloxane

5-butyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]oxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-ethyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-pentyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-propyloxane (PubChem CID 162016466) has the molecular formula C110H96F28O8 and a molecular weight of 2077.91 g/mol. Its IUPAC name is 5-butyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]oxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-ethyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-pentyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-propyloxane.

Molecular Properties

• Compound Name: 5-butyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]oxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-ethyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-pentyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-propyloxane
• PubChem CID: 162016466
• Molecular Formula: C110H96F28O8
• Molecular Weight: 2077.91 g/mol
• Exact Mass: 2076.67
• IUPAC Name: 5-butyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]oxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-ethyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-pentyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-propyloxane
• SMILES: CCC1CCC(c2ccc(-c3cc(F)c(OC(F)(F)c4cc(F)c(F)c(F)c4)c(F)c3)cc2)OC1.CCCC1CCC(c2ccc(-c3cc(F)c(OC(F)(F)c4cc(F)c(F)c(F)c4)c(F)c3)cc2)OC1.CCCCC1CCC(c2ccc(-c3cc(F)c(OC(F)(F)c4cc(F)c(F)c(F)c4)c(F)c3)cc2)OC1.CCCCCC1CCC(c2ccc(-c3cc(F)c(OC(F)(F)c4cc(F)c(F)c(F)c4)c(F)c3)cc2)OC1
• InChI: InChI=1S/C29H27F7O2.C28H25F7O2.C27H23F7O2.C26H21F7O2/c1-2-3-4-5-17-6-11-26(37-16-17)19-9-7-18(8-10-19)20-12-24(32)28(25(33)13-20)38-29(35,36)21-14-22(30)27(34)23(31)15-21;1-2-3-4-16-5-10-25(36-15-16)18-8-6-17(7-9-18)19-11-23(31)27(24(32)12-19)37-28(34,35)20-13-21(29)26(33)22(30)14-20;1-2-3-15-4-9-24(35-14-15)17-7-5-16(6-8-17)18-10-22(30)26(23(31)11-18)36-27(33,34)19-12-20(28)25(32)21(29)13-19;1-2-14-3-8-23(34-13-14)16-6-4-15(5-7-16)17-9-21(29)25(22(30)10-17)35-26(32,33)18-11-19(27)24(31)20(28)12-18/h7-10,12-15,17,26H,2-6,11,16H2,1H3;6-9,11-14,16,25H,2-5,10,15H2,1H3;5-8,10-13,15,24H,2-4,9,14H2,1H3;4-7,9-12,14,23H,2-3,8,13H2,1H3
• InChIKey: YUEBIQYONYQKBO-UHFFFAOYSA-N
• XLogP: 34.56
• TPSA: 73.84 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 30
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2077.91
LogP ≤ 5	34.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

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-butyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]oxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-ethyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-pentyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-propyloxane?

The IUPAC name of 5-butyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]oxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-ethyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-pentyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-propyloxane (CID 162016466) is 5-butyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]oxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-ethyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-pentyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-propyloxane.

What is the SMILES notation for 5-butyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]oxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-ethyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-pentyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-propyloxane?

The canonical SMILES for 5-butyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]oxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-ethyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-pentyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-propyloxane is CCC1CCC(c2ccc(-c3cc(F)c(OC(F)(F)c4cc(F)c(F)c(F)c4)c(F)c3)cc2)OC1.CCCC1CCC(c2ccc(-c3cc(F)c(OC(F)(F)c4cc(F)c(F)c(F)c4)c(F)c3)cc2)OC1.CCCCC1CCC(c2ccc(-c3cc(F)c(OC(F)(F)c4cc(F)c(F)c(F)c4)c(F)c3)cc2)OC1.CCCCCC1CCC(c2ccc(-c3cc(F)c(OC(F)(F)c4cc(F)c(F)c(F)c4)c(F)c3)cc2)OC1.

What is the InChIKey of 5-butyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]oxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-ethyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-pentyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-propyloxane?

The InChIKey is YUEBIQYONYQKBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27F7O2.C28H25F7O2.C27H23F7O2.C26H21F7O2/c1-2-3-4-5-17-6-11-26(37-16-17)19-9-7-18(8-10-19)20-12-24(32)28(25(33)13-20)38-29(35,36)21-14-22(30)27(34)23(31)15-21;1-2-3-4-16-5-10-25(36-15-16)18-8-6-17(7-9-18)19-11-23(31)27(24(32)12-19)37-28(34,35)20-13-21(29)26(33)22(30)14-20;1-2-3-15-4-9-24(35-14-15)17-7-5-16(6-8-17)18-10-22(30)26(23(31)11-18)36-27(33,34)19-12-20(28)25(32)21(29)13-19;1-2-14-3-8-23(34-13-14)16-6-4-15(5-7-16)17-9-21(29)25(22(30)10-17)35-26(32,33)18-11-19(27)24(31)20(28)12-18/h7-10,12-15,17,26H,2-6,11,16H2,1H3;6-9,11-14,16,25H,2-5,10,15H2,1H3;5-8,10-13,15,24H,2-4,9,14H2,1H3;4-7,9-12,14,23H,2-3,8,13H2,1H3.

What are the key properties of 5-butyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]oxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-ethyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-pentyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-propyloxane?

5-butyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]oxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-ethyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-pentyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-propyloxane has a molecular weight of 2077.91 g/mol, XLogP of 34.56, 30 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-butyl-2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]oxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-ethyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-pentyloxane;2-[4-[4-[difluoro-(3,4,5-trifluorophenyl)methoxy]-3,5-difluorophenyl]phenyl]-5-propyloxane is sourced from PubChem (CID 162016466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).