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

C12H4F14O2 — CID 121234684

IUPAC1,3,3,4,4,5,5-heptafluoro-2-[2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxyethoxy]cyclopentene
SMILESFC1=C(OCCOC2=C(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H4F14O2/c13-3-5(9(19,20)11(23,24)7(3,15)16)27-1-2-28-6-4(14)8(17,18)12(25,26)10(6,21)22/h1-2H2
InChIKeyDBBPQKUWDJCJCE-UHFFFAOYSA-N
MW446.13 g/mol
LogP5.22
Rot. Bonds5

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

1,3,3,4,4,5,5-heptafluoro-2-[2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxyethoxy]cyclopentene (PubChem CID 121234684) has the molecular formula C12H4F14O2 and a molecular weight of 446.13 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-[2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxyethoxy]cyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-[2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxyethoxy]cyclopentene
PubChem CID121234684
Molecular FormulaC12H4F14O2
Molecular Weight446.13 g/mol
Exact Mass446.00
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-[2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxyethoxy]cyclopentene
SMILESFC1=C(OCCOC2=C(F)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H4F14O2/c13-3-5(9(19,20)11(23,24)7(3,15)16)27-1-2-28-6-4(14)8(17,18)12(25,26)10(6,21)22/h1-2H2
InChIKeyDBBPQKUWDJCJCE-UHFFFAOYSA-N
XLogP5.22
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.13
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', '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-[2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxyethoxy]cyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-[2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxyethoxy]cyclopentene (CID 121234684) is 1,3,3,4,4,5,5-heptafluoro-2-[2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxyethoxy]cyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-[2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxyethoxy]cyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-[2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxyethoxy]cyclopentene is FC1=C(OCCOC2=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-[2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxyethoxy]cyclopentene?
The InChIKey is DBBPQKUWDJCJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F14O2/c13-3-5(9(19,20)11(23,24)7(3,15)16)27-1-2-28-6-4(14)8(17,18)12(25,26)10(6,21)22/h1-2H2.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-[2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxyethoxy]cyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-[2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxyethoxy]cyclopentene has a molecular weight of 446.13 g/mol, XLogP of 5.22, 5 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-[2-(2,3,3,4,4,5,5-heptafluorocyclopenten-1-yl)oxyethoxy]cyclopentene is sourced from PubChem (CID 121234684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).