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

C14H20F6O5 — CID 176591328

IUPAC5-[3,3,4,4,5,5-hexafluoro-2-[2-(2-hydroxyethoxy)ethoxy]cyclopenten-1-yl]oxypentan-1-ol
SMILESOCCCCCOC1=C(OCCOCCO)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H20F6O5/c15-12(16)10(24-6-3-1-2-4-21)11(13(17,18)14(12,19)20)25-9-8-23-7-5-22/h21-22H,1-9H2
InChIKeyVLWWPYQNGDDGSQ-UHFFFAOYSA-N
MW382.30 g/mol
LogP2.32
Rot. Bonds12

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

5-[3,3,4,4,5,5-hexafluoro-2-[2-(2-hydroxyethoxy)ethoxy]cyclopenten-1-yl]oxypentan-1-ol (PubChem CID 176591328) has the molecular formula C14H20F6O5 and a molecular weight of 382.30 g/mol. Its IUPAC name is 5-[3,3,4,4,5,5-hexafluoro-2-[2-(2-hydroxyethoxy)ethoxy]cyclopenten-1-yl]oxypentan-1-ol.

Molecular Properties

Compound Name5-[3,3,4,4,5,5-hexafluoro-2-[2-(2-hydroxyethoxy)ethoxy]cyclopenten-1-yl]oxypentan-1-ol
PubChem CID176591328
Molecular FormulaC14H20F6O5
Molecular Weight382.30 g/mol
Exact Mass382.12
IUPAC Name5-[3,3,4,4,5,5-hexafluoro-2-[2-(2-hydroxyethoxy)ethoxy]cyclopenten-1-yl]oxypentan-1-ol
SMILESOCCCCCOC1=C(OCCOCCO)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C14H20F6O5/c15-12(16)10(24-6-3-1-2-4-21)11(13(17,18)14(12,19)20)25-9-8-23-7-5-22/h21-22H,1-9H2
InChIKeyVLWWPYQNGDDGSQ-UHFFFAOYSA-N
XLogP2.32
TPSA68.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.30
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 5-[3,3,4,4,5,5-hexafluoro-2-[2-(2-hydroxyethoxy)ethoxy]cyclopenten-1-yl]oxypentan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,3,3,4,4,5,5-Heptafluorocyclopenten-1-yl)oxyethanol
CID 21731306
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
4-[3,3,4,4,5,5-Hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol
CID 176591322
2-[3,3,4,4,5,5-Hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol
CID 176591330
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
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
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
3-[3,3,4,4,5,5-Hexafluoro-2-(3-hydroxypropoxy)cyclopenten-1-yl]oxypropan-1-ol
CID 176591358

Frequently Asked Questions

What is the IUPAC name of 5-[3,3,4,4,5,5-hexafluoro-2-[2-(2-hydroxyethoxy)ethoxy]cyclopenten-1-yl]oxypentan-1-ol?
The IUPAC name of 5-[3,3,4,4,5,5-hexafluoro-2-[2-(2-hydroxyethoxy)ethoxy]cyclopenten-1-yl]oxypentan-1-ol (CID 176591328) is 5-[3,3,4,4,5,5-hexafluoro-2-[2-(2-hydroxyethoxy)ethoxy]cyclopenten-1-yl]oxypentan-1-ol.
What is the SMILES notation for 5-[3,3,4,4,5,5-hexafluoro-2-[2-(2-hydroxyethoxy)ethoxy]cyclopenten-1-yl]oxypentan-1-ol?
The canonical SMILES for 5-[3,3,4,4,5,5-hexafluoro-2-[2-(2-hydroxyethoxy)ethoxy]cyclopenten-1-yl]oxypentan-1-ol is OCCCCCOC1=C(OCCOCCO)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 5-[3,3,4,4,5,5-hexafluoro-2-[2-(2-hydroxyethoxy)ethoxy]cyclopenten-1-yl]oxypentan-1-ol?
The InChIKey is VLWWPYQNGDDGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F6O5/c15-12(16)10(24-6-3-1-2-4-21)11(13(17,18)14(12,19)20)25-9-8-23-7-5-22/h21-22H,1-9H2.
What are the key properties of 5-[3,3,4,4,5,5-hexafluoro-2-[2-(2-hydroxyethoxy)ethoxy]cyclopenten-1-yl]oxypentan-1-ol?
5-[3,3,4,4,5,5-hexafluoro-2-[2-(2-hydroxyethoxy)ethoxy]cyclopenten-1-yl]oxypentan-1-ol has a molecular weight of 382.30 g/mol, XLogP of 2.32, 12 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3,3,4,4,5,5-hexafluoro-2-[2-(2-hydroxyethoxy)ethoxy]cyclopenten-1-yl]oxypentan-1-ol is sourced from PubChem (CID 176591328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).