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

C65H36F28O6S — CID 89186679

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

1-ethenyl-4-[2-[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]propyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]butan-2-yl]-2,3,5,6-tetrafluorobenzene (PubChem CID 89186679) has the molecular formula C65H36F28O6S and a molecular weight of 1477.01 g/mol. Its IUPAC name is 1-ethenyl-4-[2-[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]propyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]butan-2-yl]-2,3,5,6-tetrafluorobenzene.

Molecular Properties

• Compound Name: 1-ethenyl-4-[2-[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]propyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]butan-2-yl]-2,3,5,6-tetrafluorobenzene
• PubChem CID: 89186679
• Molecular Formula: C65H36F28O6S
• Molecular Weight: 1477.01 g/mol
• Exact Mass: 1476.18
• IUPAC Name: 1-ethenyl-4-[2-[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]propyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]butan-2-yl]-2,3,5,6-tetrafluorobenzene
• SMILES: C=Cc1c(F)c(F)c(Oc2ccc(C(c3ccc(OC(CC)c4c(F)c(F)c(S(=O)(=O)c5c(F)c(F)c(Oc6ccc(C(c7ccc(OC(C)(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/C65H36F28O6S/c1-6-34-39(66)45(72)38(46(73)40(34)67)59(5,9-4)99-33-24-16-29(17-25-33)61(64(88,89)90,65(91,92)93)28-14-22-32(23-15-28)98-56-49(76)53(80)58(54(81)50(56)77)100(94,95)57-51(78)43(70)37(44(71)52(57)79)36(8-3)96-30-18-10-26(11-19-30)60(62(82,83)84,63(85,86)87)27-12-20-31(21-13-27)97-55-47(74)41(68)35(7-2)42(69)48(55)75/h6-7,10-25,36H,1-2,8-9H2,3-5H3
• InChIKey: SMEIMSBVMDQMGF-UHFFFAOYSA-N
• XLogP: 21.67
• TPSA: 71.06 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 20
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1477.01
LogP ≤ 5	21.67
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-[2-[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]propyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]butan-2-yl]-2,3,5,6-tetrafluorobenzene?

The IUPAC name of 1-ethenyl-4-[2-[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]propyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]butan-2-yl]-2,3,5,6-tetrafluorobenzene (CID 89186679) is 1-ethenyl-4-[2-[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]propyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]butan-2-yl]-2,3,5,6-tetrafluorobenzene.

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

The canonical SMILES for 1-ethenyl-4-[2-[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]propyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]butan-2-yl]-2,3,5,6-tetrafluorobenzene is C=Cc1c(F)c(F)c(Oc2ccc(C(c3ccc(OC(CC)c4c(F)c(F)c(S(=O)(=O)c5c(F)c(F)c(Oc6ccc(C(c7ccc(OC(C)(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-[2-[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]propyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]butan-2-yl]-2,3,5,6-tetrafluorobenzene?

The InChIKey is SMEIMSBVMDQMGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C65H36F28O6S/c1-6-34-39(66)45(72)38(46(73)40(34)67)59(5,9-4)99-33-24-16-29(17-25-33)61(64(88,89)90,65(91,92)93)28-14-22-32(23-15-28)98-56-49(76)53(80)58(54(81)50(56)77)100(94,95)57-51(78)43(70)37(44(71)52(57)79)36(8-3)96-30-18-10-26(11-19-30)60(62(82,83)84,63(85,86)87)27-12-20-31(21-13-27)97-55-47(74)41(68)35(7-2)42(69)48(55)75/h6-7,10-25,36H,1-2,8-9H2,3-5H3.

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

1-ethenyl-4-[2-[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]propyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]butan-2-yl]-2,3,5,6-tetrafluorobenzene has a molecular weight of 1477.01 g/mol, XLogP of 21.67, 20 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethenyl-4-[2-[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]propyl]-2,3,5,6-tetrafluorophenyl]sulfonyl-2,3,5,6-tetrafluorophenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenoxy]butan-2-yl]-2,3,5,6-tetrafluorobenzene is sourced from PubChem (CID 89186679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).