1,3,3,4,4,5,5-heptafluoro-2-[4-[3,3,4,4,5,5-hexafluoro-2-[4-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxybutoxy]cyclopenten-1-yl]oxybutoxy]cyclopentene

C23H17F19O4 — CID 176591327

About 1,3,3,4,4,5,5-heptafluoro-2-[4-[3,3,4,4,5,5-hexafluoro-2-[4-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxybutoxy]cyclopenten-1-yl]oxybutoxy]cyclopentene

1,3,3,4,4,5,5-heptafluoro-2-[4-[3,3,4,4,5,5-hexafluoro-2-[4-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxybutoxy]cyclopenten-1-yl]oxybutoxy]cyclopentene (PubChem CID 176591327) has the molecular formula C23H17F19O4 and a molecular weight of 718.35 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-[4-[3,3,4,4,5,5-hexafluoro-2-[4-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxybutoxy]cyclopenten-1-yl]oxybutoxy]cyclopentene.

Molecular Properties

• Compound Name: 1,3,3,4,4,5,5-heptafluoro-2-[4-[3,3,4,4,5,5-hexafluoro-2-[4-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxybutoxy]cyclopenten-1-yl]oxybutoxy]cyclopentene
• PubChem CID: 176591327
• Molecular Formula: C23H17F19O4
• Molecular Weight: 718.35 g/mol
• Exact Mass: 718.08
• IUPAC Name: 1,3,3,4,4,5,5-heptafluoro-2-[4-[3,3,4,4,5,5-hexafluoro-2-[4-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxybutoxy]cyclopenten-1-yl]oxybutoxy]cyclopentene
• SMILES: FC1=C(OCCCCOC2=C(OCCCCOC3=C(F)C(F)(F)C(F)(F)C3(F)F)C(F)(F)C(F)(F)C2(F)F)C(F)C(F)(F)C1(F)F
• InChI: InChI=1S/C23H17F19O4/c24-10-9(11(25)17(29,30)16(10,27)28)43-5-1-2-7-45-14-15(21(37,38)23(41,42)20(14,35)36)46-8-4-3-6-44-13-12(26)18(31,32)22(39,40)19(13,33)34/h10H,1-8H2
• InChIKey: VHBHPQHIDDKTRH-UHFFFAOYSA-N
• XLogP: 8.65
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 14
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	718.35
LogP ≤ 5	8.65
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': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-[4-[3,3,4,4,5,5-hexafluoro-2-[4-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxybutoxy]cyclopenten-1-yl]oxybutoxy]cyclopentene?

The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-[4-[3,3,4,4,5,5-hexafluoro-2-[4-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxybutoxy]cyclopenten-1-yl]oxybutoxy]cyclopentene (CID 176591327) is 1,3,3,4,4,5,5-heptafluoro-2-[4-[3,3,4,4,5,5-hexafluoro-2-[4-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxybutoxy]cyclopenten-1-yl]oxybutoxy]cyclopentene.

What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-[4-[3,3,4,4,5,5-hexafluoro-2-[4-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxybutoxy]cyclopenten-1-yl]oxybutoxy]cyclopentene?

The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-[4-[3,3,4,4,5,5-hexafluoro-2-[4-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxybutoxy]cyclopenten-1-yl]oxybutoxy]cyclopentene is FC1=C(OCCCCOC2=C(OCCCCOC3=C(F)C(F)(F)C(F)(F)C3(F)F)C(F)(F)C(F)(F)C2(F)F)C(F)C(F)(F)C1(F)F.

What is the InChIKey of 1,3,3,4,4,5,5-heptafluoro-2-[4-[3,3,4,4,5,5-hexafluoro-2-[4-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxybutoxy]cyclopenten-1-yl]oxybutoxy]cyclopentene?

The InChIKey is VHBHPQHIDDKTRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F19O4/c24-10-9(11(25)17(29,30)16(10,27)28)43-5-1-2-7-45-14-15(21(37,38)23(41,42)20(14,35)36)46-8-4-3-6-44-13-12(26)18(31,32)22(39,40)19(13,33)34/h10H,1-8H2.

What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-[4-[3,3,4,4,5,5-hexafluoro-2-[4-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxybutoxy]cyclopenten-1-yl]oxybutoxy]cyclopentene?

1,3,3,4,4,5,5-heptafluoro-2-[4-[3,3,4,4,5,5-hexafluoro-2-[4-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxybutoxy]cyclopenten-1-yl]oxybutoxy]cyclopentene has a molecular weight of 718.35 g/mol, XLogP of 8.65, 14 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,3,3,4,4,5,5-heptafluoro-2-[4-[3,3,4,4,5,5-hexafluoro-2-[4-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxybutoxy]cyclopenten-1-yl]oxybutoxy]cyclopentene is sourced from PubChem (CID 176591327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).