2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethanol

C17H26F6O8 — CID 176591335

IUPAC2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOC1=C(OCCOCCOCCO)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C17H26F6O8/c18-15(19)13(30-11-9-28-7-5-26-3-1-24)14(16(20,21)17(15,22)23)31-12-10-29-8-6-27-4-2-25/h24-25H,1-12H2
InChIKeyIJJBCDODCWNTIE-UHFFFAOYSA-N
MW472.38 g/mol
LogP1.20
Rot. Bonds18

About 2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethanol

2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethanol (PubChem CID 176591335) has the molecular formula C17H26F6O8 and a molecular weight of 472.38 g/mol. Its IUPAC name is 2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethanol.

Molecular Properties

Compound Name2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethanol
PubChem CID176591335
Molecular FormulaC17H26F6O8
Molecular Weight472.38 g/mol
Exact Mass472.15
IUPAC Name2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethanol
SMILESOCCOCCOCCOC1=C(OCCOCCOCCO)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C17H26F6O8/c18-15(19)13(30-11-9-28-7-5-26-3-1-24)14(16(20,21)17(15,22)23)31-12-10-29-8-6-27-4-2-25/h24-25H,1-12H2
InChIKeyIJJBCDODCWNTIE-UHFFFAOYSA-N
XLogP1.20
TPSA95.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.38
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

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
4-[3,3,4,4,5,5-Hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol
CID 176591322
5-[3,3,4,4,5,5-Hexafluoro-2-[2-(2-hydroxyethoxy)ethoxy]cyclopenten-1-yl]oxypentan-1-ol
CID 176591328
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
3-[2-[3,3,4,4,5,5-Hexafluoro-2-[2-[2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-(2-methoxyethoxy)ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]propan-1-ol
CID 176591334
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
6-[3,3,4,4,5,5-Hexafluoro-2-(6-hydroxyhexoxy)cyclopenten-1-yl]oxyhexan-1-ol
CID 176591342
2-[2-[2-[2-[3,3,4,4,5,5-Hexafluoro-2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethoxy]ethanol
CID 176591351

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethanol?
The IUPAC name of 2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethanol (CID 176591335) is 2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethanol.
What is the SMILES notation for 2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethanol?
The canonical SMILES for 2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethanol is OCCOCCOCCOC1=C(OCCOCCOCCO)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethanol?
The InChIKey is IJJBCDODCWNTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F6O8/c18-15(19)13(30-11-9-28-7-5-26-3-1-24)14(16(20,21)17(15,22)23)31-12-10-29-8-6-27-4-2-25/h24-25H,1-12H2.
What are the key properties of 2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethanol?
2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethanol has a molecular weight of 472.38 g/mol, XLogP of 1.20, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethanol is sourced from PubChem (CID 176591335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).