1-ethenyl-4-[1-[4-[2-[4-[4-[4-[1-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]ethyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propyl]-2,3,5,6-tetrafluorobenzene

C63H32F28O6S — CID 89186662

About 1-ethenyl-4-[1-[4-[2-[4-[4-[4-[1-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]ethyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propyl]-2,3,5,6-tetrafluorobenzene

1-ethenyl-4-[1-[4-[2-[4-[4-[4-[1-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]ethyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propyl]-2,3,5,6-tetrafluorobenzene (PubChem CID 89186662) has the molecular formula C63H32F28O6S and a molecular weight of 1448.95 g/mol. Its IUPAC name is 1-ethenyl-4-[1-[4-[2-[4-[4-[4-[1-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]ethyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propyl]-2,3,5,6-tetrafluorobenzene.

Molecular Properties

• Compound Name: 1-ethenyl-4-[1-[4-[2-[4-[4-[4-[1-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]ethyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propyl]-2,3,5,6-tetrafluorobenzene
• PubChem CID: 89186662
• Molecular Formula: C63H32F28O6S
• Molecular Weight: 1448.95 g/mol
• Exact Mass: 1448.15
• IUPAC Name: 1-ethenyl-4-[1-[4-[2-[4-[4-[4-[1-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]ethyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propyl]-2,3,5,6-tetrafluorobenzene
• SMILES: C=Cc1c(F)c(F)c(Oc2ccc(C(c3ccc(OC(C)c4c(F)c(F)c(S(=O)(=O)c5c(F)c(F)c(Oc6ccc(C(c7ccc(OC(CC)c8c(F)c(F)c(C=C)c(F)c8F)cc7)(C(F)(F)F)C(F)(F)F)cc6)c(F)c5F)c(F)c4F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(F)c1F
• InChI: InChI=1S/C63H32F28O6S/c1-5-33-38(64)44(70)37(45(71)39(33)65)35(7-3)95-30-18-10-26(11-19-30)59(62(86,87)88,63(89,90)91)28-14-22-32(23-15-28)97-55-48(74)52(78)57(53(79)49(55)75)98(92,93)56-50(76)42(68)36(43(69)51(56)77)24(4)94-29-16-8-25(9-17-29)58(60(80,81)82,61(83,84)85)27-12-20-31(21-13-27)96-54-46(72)40(66)34(6-2)41(67)47(54)73/h5-6,8-24,35H,1-2,7H2,3-4H3
• InChIKey: CRCJXPQDADPDDC-UHFFFAOYSA-N
• XLogP: 21.11
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 19
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1448.95
LogP ≤ 5	21.11
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-4-[1-[4-[2-[4-[4-[4-[1-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]ethyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propyl]-2,3,5,6-tetrafluorobenzene?

The IUPAC name of 1-ethenyl-4-[1-[4-[2-[4-[4-[4-[1-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]ethyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propyl]-2,3,5,6-tetrafluorobenzene (CID 89186662) is 1-ethenyl-4-[1-[4-[2-[4-[4-[4-[1-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]ethyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propyl]-2,3,5,6-tetrafluorobenzene.

What is the SMILES notation for 1-ethenyl-4-[1-[4-[2-[4-[4-[4-[1-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]ethyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propyl]-2,3,5,6-tetrafluorobenzene?

The canonical SMILES for 1-ethenyl-4-[1-[4-[2-[4-[4-[4-[1-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]ethyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propyl]-2,3,5,6-tetrafluorobenzene is C=Cc1c(F)c(F)c(Oc2ccc(C(c3ccc(OC(C)c4c(F)c(F)c(S(=O)(=O)c5c(F)c(F)c(Oc6ccc(C(c7ccc(OC(CC)c8c(F)c(F)c(C=C)c(F)c8F)cc7)(C(F)(F)F)C(F)(F)F)cc6)c(F)c5F)c(F)c4F)cc3)(C(F)(F)F)C(F)(F)F)cc2)c(F)c1F.

What is the InChIKey of 1-ethenyl-4-[1-[4-[2-[4-[4-[4-[1-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]ethyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propyl]-2,3,5,6-tetrafluorobenzene?

The InChIKey is CRCJXPQDADPDDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C63H32F28O6S/c1-5-33-38(64)44(70)37(45(71)39(33)65)35(7-3)95-30-18-10-26(11-19-30)59(62(86,87)88,63(89,90)91)28-14-22-32(23-15-28)97-55-48(74)52(78)57(53(79)49(55)75)98(92,93)56-50(76)42(68)36(43(69)51(56)77)24(4)94-29-16-8-25(9-17-29)58(60(80,81)82,61(83,84)85)27-12-20-31(21-13-27)96-54-46(72)40(66)34(6-2)41(67)47(54)73/h5-6,8-24,35H,1-2,7H2,3-4H3.

What are the key properties of 1-ethenyl-4-[1-[4-[2-[4-[4-[4-[1-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]ethyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propyl]-2,3,5,6-tetrafluorobenzene?

1-ethenyl-4-[1-[4-[2-[4-[4-[4-[1-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]ethyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propyl]-2,3,5,6-tetrafluorobenzene has a molecular weight of 1448.95 g/mol, XLogP of 21.11, 19 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethenyl-4-[1-[4-[2-[4-[4-[4-[1-[4-[2-[4-(4-ethenyl-2,3,5,6-tetrafluorophenoxy)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]ethyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]propyl]-2,3,5,6-tetrafluorobenzene is sourced from PubChem (CID 89186662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).