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

C19H9F19O4 — CID 176591347

IUPAC1,3,3,4,4,5,5-heptafluoro-2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]cyclopenten-1-yl]oxyethoxy]cyclopentene
SMILESFC1=C(OCCOC2=C(OCCOC3=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
InChIInChI=1S/C19H9F19O4/c20-6-5(7(21)13(25,26)12(6,23)24)39-1-2-41-10-11(17(33,34)19(37,38)16(10,31)32)42-4-3-40-9-8(22)14(27,28)18(35,36)15(9,29)30/h6H,1-4H2
InChIKeyZHTLNJBZKZHTQO-UHFFFAOYSA-N
MW662.24 g/mol
LogP7.09
Rot. Bonds10

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

1,3,3,4,4,5,5-heptafluoro-2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]cyclopenten-1-yl]oxyethoxy]cyclopentene (PubChem CID 176591347) has the molecular formula C19H9F19O4 and a molecular weight of 662.24 g/mol. Its IUPAC name is 1,3,3,4,4,5,5-heptafluoro-2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]cyclopenten-1-yl]oxyethoxy]cyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-heptafluoro-2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]cyclopenten-1-yl]oxyethoxy]cyclopentene
PubChem CID176591347
Molecular FormulaC19H9F19O4
Molecular Weight662.24 g/mol
Exact Mass662.02
IUPAC Name1,3,3,4,4,5,5-heptafluoro-2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]cyclopenten-1-yl]oxyethoxy]cyclopentene
SMILESFC1=C(OCCOC2=C(OCCOC3=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
InChIInChI=1S/C19H9F19O4/c20-6-5(7(21)13(25,26)12(6,23)24)39-1-2-41-10-11(17(33,34)19(37,38)16(10,31)32)42-4-3-40-9-8(22)14(27,28)18(35,36)15(9,29)30/h6H,1-4H2
InChIKeyZHTLNJBZKZHTQO-UHFFFAOYSA-N
XLogP7.09
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500662.24
LogP ≤ 57.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1,3,3,4,4,5,5-heptafluoro-2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]cyclopenten-1-yl]oxyethoxy]cyclopentene with MolForge

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Related Compounds

1,2-Bis-(2,3,3,4,4,5,5-heptafluorocyclopent-1-enyloxy)ethane
CID 121234684
10,10,11,11,12,12,22,22,23,23,24,24-Dodecafluoro-2,5,8,14,17,20-hexaoxatricyclo[19.3.0.09,13]tetracosa-1(21),9(13)-diene
CID 163615326
3,3,4,4,5,5-Hexafluoro-1-[2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)oxyethoxy]-2-methoxycyclopentene
CID 176591311
1,3,3,4,4,5,5-Heptafluoro-2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]cyclopentene
CID 176591314
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
1,3,3,4,4,5,5-Heptafluoro-2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]cyclopenten-1-yl]oxyethoxymethoxy]cyclopentene
CID 176591321
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
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
2-[3,3,4,4,5,5-Hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol
CID 176591330
1,3,3,4,4,5,5-Heptafluoro-2-[2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-[2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]cyclopentene
CID 176591332
1-Butoxy-2-[2-[2-[2-(2-butoxy-3,3,4,4,5,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]ethoxy]-3,3,4,4,5,5-hexafluorocyclopentene
CID 176591337

Frequently Asked Questions

What is the IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]cyclopenten-1-yl]oxyethoxy]cyclopentene?
The IUPAC name of 1,3,3,4,4,5,5-heptafluoro-2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]cyclopenten-1-yl]oxyethoxy]cyclopentene (CID 176591347) is 1,3,3,4,4,5,5-heptafluoro-2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]cyclopenten-1-yl]oxyethoxy]cyclopentene.
What is the SMILES notation for 1,3,3,4,4,5,5-heptafluoro-2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]cyclopenten-1-yl]oxyethoxy]cyclopentene?
The canonical SMILES for 1,3,3,4,4,5,5-heptafluoro-2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]cyclopenten-1-yl]oxyethoxy]cyclopentene is FC1=C(OCCOC2=C(OCCOC3=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-[2-[3,3,4,4,5,5-hexafluoro-2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]cyclopenten-1-yl]oxyethoxy]cyclopentene?
The InChIKey is ZHTLNJBZKZHTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9F19O4/c20-6-5(7(21)13(25,26)12(6,23)24)39-1-2-41-10-11(17(33,34)19(37,38)16(10,31)32)42-4-3-40-9-8(22)14(27,28)18(35,36)15(9,29)30/h6H,1-4H2.
What are the key properties of 1,3,3,4,4,5,5-heptafluoro-2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]cyclopenten-1-yl]oxyethoxy]cyclopentene?
1,3,3,4,4,5,5-heptafluoro-2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]cyclopenten-1-yl]oxyethoxy]cyclopentene has a molecular weight of 662.24 g/mol, XLogP of 7.09, 10 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-[2-[3,3,4,4,5,5-hexafluoro-2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]cyclopenten-1-yl]oxyethoxy]cyclopentene is sourced from PubChem (CID 176591347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).