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

C17H26F6O4 — CID 176591342

IUPAC6-[3,3,4,4,5,5-hexafluoro-2-(6-hydroxyhexoxy)cyclopenten-1-yl]oxyhexan-1-ol
SMILESOCCCCCCOC1=C(OCCCCCCO)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C17H26F6O4/c18-15(19)13(26-11-7-3-1-5-9-24)14(16(20,21)17(15,22)23)27-12-8-4-2-6-10-25/h24-25H,1-12H2
InChIKeyUTJDWEFNTGZQTH-UHFFFAOYSA-N
MW408.38 g/mol
LogP4.26
Rot. Bonds14

About 6-[3,3,4,4,5,5-hexafluoro-2-(6-hydroxyhexoxy)cyclopenten-1-yl]oxyhexan-1-ol

6-[3,3,4,4,5,5-hexafluoro-2-(6-hydroxyhexoxy)cyclopenten-1-yl]oxyhexan-1-ol (PubChem CID 176591342) has the molecular formula C17H26F6O4 and a molecular weight of 408.38 g/mol. Its IUPAC name is 6-[3,3,4,4,5,5-hexafluoro-2-(6-hydroxyhexoxy)cyclopenten-1-yl]oxyhexan-1-ol.

Molecular Properties

Compound Name6-[3,3,4,4,5,5-hexafluoro-2-(6-hydroxyhexoxy)cyclopenten-1-yl]oxyhexan-1-ol
PubChem CID176591342
Molecular FormulaC17H26F6O4
Molecular Weight408.38 g/mol
Exact Mass408.17
IUPAC Name6-[3,3,4,4,5,5-hexafluoro-2-(6-hydroxyhexoxy)cyclopenten-1-yl]oxyhexan-1-ol
SMILESOCCCCCCOC1=C(OCCCCCCO)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C17H26F6O4/c18-15(19)13(26-11-7-3-1-5-9-24)14(16(20,21)17(15,22)23)27-12-8-4-2-6-10-25/h24-25H,1-12H2
InChIKeyUTJDWEFNTGZQTH-UHFFFAOYSA-N
XLogP4.26
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds14
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.38
LogP ≤ 54.26
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

4-[3,3,4,4,5,5-Hexafluoro-2-(4-hydroxybutoxy)cyclopenten-1-yl]oxybutan-1-ol
CID 176591322
1,3,3,4,4,5,5-Heptafluoro-2-[6-[3,3,4,4,5,5-hexafluoro-2-[6-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyhexoxy]cyclopenten-1-yl]oxyhexoxy]cyclopentene
CID 176591323
5-[3,3,4,4,5,5-Hexafluoro-2-[2-(2-hydroxyethoxy)ethoxy]cyclopenten-1-yl]oxypentan-1-ol
CID 176591328
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
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 6-[3,3,4,4,5,5-hexafluoro-2-(6-hydroxyhexoxy)cyclopenten-1-yl]oxyhexan-1-ol?
The IUPAC name of 6-[3,3,4,4,5,5-hexafluoro-2-(6-hydroxyhexoxy)cyclopenten-1-yl]oxyhexan-1-ol (CID 176591342) is 6-[3,3,4,4,5,5-hexafluoro-2-(6-hydroxyhexoxy)cyclopenten-1-yl]oxyhexan-1-ol.
What is the SMILES notation for 6-[3,3,4,4,5,5-hexafluoro-2-(6-hydroxyhexoxy)cyclopenten-1-yl]oxyhexan-1-ol?
The canonical SMILES for 6-[3,3,4,4,5,5-hexafluoro-2-(6-hydroxyhexoxy)cyclopenten-1-yl]oxyhexan-1-ol is OCCCCCCOC1=C(OCCCCCCO)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 6-[3,3,4,4,5,5-hexafluoro-2-(6-hydroxyhexoxy)cyclopenten-1-yl]oxyhexan-1-ol?
The InChIKey is UTJDWEFNTGZQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26F6O4/c18-15(19)13(26-11-7-3-1-5-9-24)14(16(20,21)17(15,22)23)27-12-8-4-2-6-10-25/h24-25H,1-12H2.
What are the key properties of 6-[3,3,4,4,5,5-hexafluoro-2-(6-hydroxyhexoxy)cyclopenten-1-yl]oxyhexan-1-ol?
6-[3,3,4,4,5,5-hexafluoro-2-(6-hydroxyhexoxy)cyclopenten-1-yl]oxyhexan-1-ol has a molecular weight of 408.38 g/mol, XLogP of 4.26, 14 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3,3,4,4,5,5-hexafluoro-2-(6-hydroxyhexoxy)cyclopenten-1-yl]oxyhexan-1-ol is sourced from PubChem (CID 176591342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).