3-[3,3,4,4,5,5-hexafluoro-2-(3-hydroxypropoxy)cyclopenten-1-yl]oxypropan-1-ol

C11H14F6O4 — CID 176591358

IUPAC3-[3,3,4,4,5,5-hexafluoro-2-(3-hydroxypropoxy)cyclopenten-1-yl]oxypropan-1-ol
SMILESOCCCOC1=C(OCCCO)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H14F6O4/c12-9(13)7(20-5-1-3-18)8(21-6-2-4-19)10(14,15)11(9,16)17/h18-19H,1-6H2
InChIKeyLOOVYQUMYOBYLF-UHFFFAOYSA-N
MW324.22 g/mol
LogP1.92
Rot. Bonds8

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

3-[3,3,4,4,5,5-hexafluoro-2-(3-hydroxypropoxy)cyclopenten-1-yl]oxypropan-1-ol (PubChem CID 176591358) has the molecular formula C11H14F6O4 and a molecular weight of 324.22 g/mol. Its IUPAC name is 3-[3,3,4,4,5,5-hexafluoro-2-(3-hydroxypropoxy)cyclopenten-1-yl]oxypropan-1-ol.

Molecular Properties

Compound Name3-[3,3,4,4,5,5-hexafluoro-2-(3-hydroxypropoxy)cyclopenten-1-yl]oxypropan-1-ol
PubChem CID176591358
Molecular FormulaC11H14F6O4
Molecular Weight324.22 g/mol
Exact Mass324.08
IUPAC Name3-[3,3,4,4,5,5-hexafluoro-2-(3-hydroxypropoxy)cyclopenten-1-yl]oxypropan-1-ol
SMILESOCCCOC1=C(OCCCO)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H14F6O4/c12-9(13)7(20-5-1-3-18)8(21-6-2-4-19)10(14,15)11(9,16)17/h18-19H,1-6H2
InChIKeyLOOVYQUMYOBYLF-UHFFFAOYSA-N
XLogP1.92
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 51.92
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'}

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Related Compounds

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
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
6-[3,3,4,4,5,5-Hexafluoro-2-(6-hydroxyhexoxy)cyclopenten-1-yl]oxyhexan-1-ol
CID 176591342

Frequently Asked Questions

What is the IUPAC name of 3-[3,3,4,4,5,5-hexafluoro-2-(3-hydroxypropoxy)cyclopenten-1-yl]oxypropan-1-ol?
The IUPAC name of 3-[3,3,4,4,5,5-hexafluoro-2-(3-hydroxypropoxy)cyclopenten-1-yl]oxypropan-1-ol (CID 176591358) is 3-[3,3,4,4,5,5-hexafluoro-2-(3-hydroxypropoxy)cyclopenten-1-yl]oxypropan-1-ol.
What is the SMILES notation for 3-[3,3,4,4,5,5-hexafluoro-2-(3-hydroxypropoxy)cyclopenten-1-yl]oxypropan-1-ol?
The canonical SMILES for 3-[3,3,4,4,5,5-hexafluoro-2-(3-hydroxypropoxy)cyclopenten-1-yl]oxypropan-1-ol is OCCCOC1=C(OCCCO)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3-[3,3,4,4,5,5-hexafluoro-2-(3-hydroxypropoxy)cyclopenten-1-yl]oxypropan-1-ol?
The InChIKey is LOOVYQUMYOBYLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6O4/c12-9(13)7(20-5-1-3-18)8(21-6-2-4-19)10(14,15)11(9,16)17/h18-19H,1-6H2.
What are the key properties of 3-[3,3,4,4,5,5-hexafluoro-2-(3-hydroxypropoxy)cyclopenten-1-yl]oxypropan-1-ol?
3-[3,3,4,4,5,5-hexafluoro-2-(3-hydroxypropoxy)cyclopenten-1-yl]oxypropan-1-ol has a molecular weight of 324.22 g/mol, XLogP of 1.92, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,3,4,4,5,5-hexafluoro-2-(3-hydroxypropoxy)cyclopenten-1-yl]oxypropan-1-ol is sourced from PubChem (CID 176591358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).