1,3,3,4,4,5,5-heptafluoro-2-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene

C27H25F19O4 — CID 176591323

About 1,3,3,4,4,5,5-heptafluoro-2-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene

1,3,3,4,4,5,5-heptafluoro-2-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene (PubChem CID 176591323) has the molecular formula C27H25F19O4 and a molecular weight of 774.45 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene.

Molecular Properties

• Compound Name: 1,3,3,4,4,5,5-heptafluoro-2-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene
• PubChem CID: 176591323
• Molecular Formula: C27H25F19O4
• Molecular Weight: 774.45 g/mol
• Exact Mass: 774.14
• IUPAC Name: 1,3,3,4,4,5,5-heptafluoro-2-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene
• SMILES: FC1=C(OCCCCCCOC2=C(OCCCCCCOC3=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/C27H25F19O4/c28-14-13(15(29)21(33,34)20(14,31)32)47-9-5-1-2-7-11-49-18-19(25(41,42)27(45,46)24(18,39)40)50-12-8-4-3-6-10-48-17-16(30)22(35,36)26(43,44)23(17,37)38/h14H,1-12H2
• InChIKey: ZNCLCCOWGDVFNR-UHFFFAOYSA-N
• XLogP: 10.21
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 18
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	774.45
LogP ≤ 5	10.21
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-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene?

The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene (CID 176591323) is 1,3,3,4,4,5,5-heptafluoro-2-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene.

What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene?

The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene is FC1=C(OCCCCCCOC2=C(OCCCCCCOC3=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-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene?

The InChIKey is ZNCLCCOWGDVFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25F19O4/c28-14-13(15(29)21(33,34)20(14,31)32)47-9-5-1-2-7-11-49-18-19(25(41,42)27(45,46)24(18,39)40)50-12-8-4-3-6-10-48-17-16(30)22(35,36)26(43,44)23(17,37)38/h14H,1-12H2.

What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene?

1,3,3,4,4,5,5-heptafluoro-2-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene has a molecular weight of 774.45 g/mol, XLogP of 10.21, 18 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-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene is sourced from PubChem (CID 176591323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).