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

C21H13F19O4 — CID 176591315

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

1,3,3,4,4,5,5-heptafluoro-2-[3-[3,3,4,4,5,5-hexafluoro-2-[3-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxypropoxy]cyclopenten-1-yl]oxypropoxy]cyclopentene (PubChem CID 176591315) has the molecular formula C21H13F19O4 and a molecular weight of 690.29 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-[3-[3,3,4,4,5,5-hexafluoro-2-[3-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxypropoxy]cyclopenten-1-yl]oxypropoxy]cyclopentene.

Molecular Properties

• Compound Name: 1,3,3,4,4,5,5-heptafluoro-2-[3-[3,3,4,4,5,5-hexafluoro-2-[3-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxypropoxy]cyclopenten-1-yl]oxypropoxy]cyclopentene
• PubChem CID: 176591315
• Molecular Formula: C21H13F19O4
• Molecular Weight: 690.29 g/mol
• Exact Mass: 690.05
• IUPAC Name: 1,3,3,4,4,5,5-heptafluoro-2-[3-[3,3,4,4,5,5-hexafluoro-2-[3-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxypropoxy]cyclopenten-1-yl]oxypropoxy]cyclopentene
• SMILES: FC1=C(OCCCOC2=C(OCCCOC3=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/C21H13F19O4/c22-8-7(9(23)15(27,28)14(8,25)26)41-3-1-5-43-12-13(19(35,36)21(39,40)18(12,33)34)44-6-2-4-42-11-10(24)16(29,30)20(37,38)17(11,31)32/h8H,1-6H2
• InChIKey: UKVTTZZWSQXWRA-UHFFFAOYSA-N
• XLogP: 7.87
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 12
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.29
LogP ≤ 5	7.87
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-[3-[3,3,4,4,5,5-hexafluoro-2-[3-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxypropoxy]cyclopenten-1-yl]oxypropoxy]cyclopentene?

The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-[3-[3,3,4,4,5,5-hexafluoro-2-[3-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxypropoxy]cyclopenten-1-yl]oxypropoxy]cyclopentene (CID 176591315) is 1,3,3,4,4,5,5-heptafluoro-2-[3-[3,3,4,4,5,5-hexafluoro-2-[3-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxypropoxy]cyclopenten-1-yl]oxypropoxy]cyclopentene.

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

The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-[3-[3,3,4,4,5,5-hexafluoro-2-[3-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxypropoxy]cyclopenten-1-yl]oxypropoxy]cyclopentene is FC1=C(OCCCOC2=C(OCCCOC3=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-[3-[3,3,4,4,5,5-hexafluoro-2-[3-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxypropoxy]cyclopenten-1-yl]oxypropoxy]cyclopentene?

The InChIKey is UKVTTZZWSQXWRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F19O4/c22-8-7(9(23)15(27,28)14(8,25)26)41-3-1-5-43-12-13(19(35,36)21(39,40)18(12,33)34)44-6-2-4-42-11-10(24)16(29,30)20(37,38)17(11,31)32/h8H,1-6H2.

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

1,3,3,4,4,5,5-heptafluoro-2-[3-[3,3,4,4,5,5-hexafluoro-2-[3-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxypropoxy]cyclopenten-1-yl]oxypropoxy]cyclopentene has a molecular weight of 690.29 g/mol, XLogP of 7.87, 12 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-[3-[3,3,4,4,5,5-hexafluoro-2-[3-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxypropoxy]cyclopenten-1-yl]oxypropoxy]cyclopentene is sourced from PubChem (CID 176591315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).