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

C22H15F19O6 — CID 176591321

IUPAC1,3,3,4,4,5,5-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
SMILESFC1=C(OCCOCCOC2=C(OCCOCOC3=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/C22H15F19O6/c23-9-8(10(24)16(28,29)15(9,26)27)44-4-1-42-2-5-45-13-14(20(36,37)22(40,41)19(13,34)35)46-6-3-43-7-47-12-11(25)17(30,31)21(38,39)18(12,32)33/h9H,1-7H2
InChIKeyNLBLOFAHTWFTPS-UHFFFAOYSA-N
MW736.32 g/mol
LogP7.08
Rot. Bonds15

About 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

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 (PubChem CID 176591321) has the molecular formula C22H15F19O6 and a molecular weight of 736.32 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-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]cyclopenten-1-yl]oxyethoxymethoxy]cyclopentene.

Molecular Properties

Compound Name1,3,3,4,4,5,5-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
PubChem CID176591321
Molecular FormulaC22H15F19O6
Molecular Weight736.32 g/mol
Exact Mass736.06
IUPAC Name1,3,3,4,4,5,5-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
SMILESFC1=C(OCCOCCOC2=C(OCCOCOC3=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/C22H15F19O6/c23-9-8(10(24)16(28,29)15(9,26)27)44-4-1-42-2-5-45-13-14(20(36,37)22(40,41)19(13,34)35)46-6-3-43-7-47-12-11(25)17(30,31)21(38,39)18(12,32)33/h9H,1-7H2
InChIKeyNLBLOFAHTWFTPS-UHFFFAOYSA-N
XLogP7.08
TPSA55.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500736.32
LogP ≤ 57.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', '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-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]cyclopenten-1-yl]oxyethoxymethoxy]cyclopentene with MolForge

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Related Compounds

3,3,4,4-Tetrafluoro-1,2,5,5-tetrakis(2,2,3,3-tetrafluoropropoxy)cyclopentene
CID 155670564
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
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-[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

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-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]cyclopenten-1-yl]oxyethoxymethoxy]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-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]cyclopenten-1-yl]oxyethoxymethoxy]cyclopentene (CID 176591321) is 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.
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-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]cyclopenten-1-yl]oxyethoxymethoxy]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-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]cyclopenten-1-yl]oxyethoxymethoxy]cyclopentene is FC1=C(OCCOCCOC2=C(OCCOCOC3=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-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]cyclopenten-1-yl]oxyethoxymethoxy]cyclopentene?
The InChIKey is NLBLOFAHTWFTPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F19O6/c23-9-8(10(24)16(28,29)15(9,26)27)44-4-1-42-2-5-45-13-14(20(36,37)22(40,41)19(13,34)35)46-6-3-43-7-47-12-11(25)17(30,31)21(38,39)18(12,32)33/h9H,1-7H2.
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-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]cyclopenten-1-yl]oxyethoxymethoxy]cyclopentene?
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 has a molecular weight of 736.32 g/mol, XLogP of 7.08, 15 rotatable bonds, 0 hydrogen bond donors, and 6 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-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]ethoxy]cyclopenten-1-yl]oxyethoxymethoxy]cyclopentene is sourced from PubChem (CID 176591321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).