1,3,3,4,4,5,5-heptafluoro-2-[4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-2-ynoxy]cyclopentene

C14H4F14O2 — CID 134238176

IUPAC1,3,3,4,4,5,5-heptafluoro-2-[4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-2-ynoxy]cyclopentene
SMILESFC1=C(OCC#CCOC2=C(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H4F14O2/c15-5-7(11(21,22)13(25,26)9(5,17)18)29-3-1-2-4-30-8-6(16)10(19,20)14(27,28)12(8,23)24/h3-4H2
InChIKeyNIBZCSPTMFZBRD-UHFFFAOYSA-N
MW470.16 g/mol
LogP5.22
Rot. Bonds4

About 1,3,3,4,4,5,5-heptafluoro-2-[4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-2-ynoxy]cyclopentene

1,3,3,4,4,5,5-heptafluoro-2-[4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-2-ynoxy]cyclopentene (PubChem CID 134238176) has the molecular formula C14H4F14O2 and a molecular weight of 470.16 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-[4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-2-ynoxy]cyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-[4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-2-ynoxy]cyclopentene
PubChem CID134238176
Molecular FormulaC14H4F14O2
Molecular Weight470.16 g/mol
Exact Mass470.00
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-[4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-2-ynoxy]cyclopentene
SMILESFC1=C(OCC#CCOC2=C(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H4F14O2/c15-5-7(11(21,22)13(25,26)9(5,17)18)29-3-1-2-4-30-8-6(16)10(19,20)14(27,28)12(8,23)24/h3-4H2
InChIKeyNIBZCSPTMFZBRD-UHFFFAOYSA-N
XLogP5.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.16
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-[4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-2-ynoxy]cyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-[4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-2-ynoxy]cyclopentene (CID 134238176) is 1,3,3,4,4,5,5-heptafluoro-2-[4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-2-ynoxy]cyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-[4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-2-ynoxy]cyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-[4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-2-ynoxy]cyclopentene is FC1=C(OCC#CCOC2=C(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1,3,3,4,4,5,5-heptafluoro-2-[4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-2-ynoxy]cyclopentene?
The InChIKey is NIBZCSPTMFZBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H4F14O2/c15-5-7(11(21,22)13(25,26)9(5,17)18)29-3-1-2-4-30-8-6(16)10(19,20)14(27,28)12(8,23)24/h3-4H2.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-[4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-2-ynoxy]cyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-[4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-2-ynoxy]cyclopentene has a molecular weight of 470.16 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,3,4,4,5,5-heptafluoro-2-[4-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxybut-2-ynoxy]cyclopentene is sourced from PubChem (CID 134238176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).