4-[3,3,4,4,5,5-hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol

C13H18F6O4 — CID 176591322

IUPAC4-[3,3,4,4,5,5-hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol
SMILESOCCCCOC1=C(OCCCCO)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H18F6O4/c14-11(15)9(22-7-3-1-5-20)10(23-8-4-2-6-21)12(16,17)13(11,18)19/h20-21H,1-8H2
InChIKeyLALVJTSOMCYYNF-UHFFFAOYSA-N
MW352.27 g/mol
LogP2.70
Rot. Bonds10

About 4-[3,3,4,4,5,5-hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol

4-[3,3,4,4,5,5-hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol (PubChem CID 176591322) has the molecular formula C13H18F6O4 and a molecular weight of 352.27 g/mol. Its IUPAC name is 4-[3,3,4,4,5,5-hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol.

Molecular Properties

Compound Name4-[3,3,4,4,5,5-hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol
PubChem CID176591322
Molecular FormulaC13H18F6O4
Molecular Weight352.27 g/mol
Exact Mass352.11
IUPAC Name4-[3,3,4,4,5,5-hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol
SMILESOCCCCOC1=C(OCCCCO)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H18F6O4/c14-11(15)9(22-7-3-1-5-20)10(23-8-4-2-6-21)12(16,17)13(11,18)19/h20-21H,1-8H2
InChIKeyLALVJTSOMCYYNF-UHFFFAOYSA-N
XLogP2.70
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 52.70
H-Bond Donors ≤ 52
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 4-[3,3,4,4,5,5-hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-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

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
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
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
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 4-[3,3,4,4,5,5-hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol?
The IUPAC name of 4-[3,3,4,4,5,5-hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol (CID 176591322) is 4-[3,3,4,4,5,5-hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol.
What is the SMILES notation for 4-[3,3,4,4,5,5-hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol?
The canonical SMILES for 4-[3,3,4,4,5,5-hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol is OCCCCOC1=C(OCCCCO)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 4-[3,3,4,4,5,5-hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol?
The InChIKey is LALVJTSOMCYYNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F6O4/c14-11(15)9(22-7-3-1-5-20)10(23-8-4-2-6-21)12(16,17)13(11,18)19/h20-21H,1-8H2.
What are the key properties of 4-[3,3,4,4,5,5-hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol?
4-[3,3,4,4,5,5-hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol has a molecular weight of 352.27 g/mol, XLogP of 2.70, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,3,4,4,5,5-hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol is sourced from PubChem (CID 176591322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).