2-[3,3,4,4,5,5-hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol

C9H10F6O4 — CID 176591330

IUPAC2-[3,3,4,4,5,5-hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol
SMILESOCCOC1=C(OCCO)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H10F6O4/c10-7(11)5(18-3-1-16)6(19-4-2-17)8(12,13)9(7,14)15/h16-17H,1-4H2
InChIKeyNPYXTKOYLZDHDB-UHFFFAOYSA-N
MW296.16 g/mol
LogP1.14
Rot. Bonds6

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

2-[3,3,4,4,5,5-hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol (PubChem CID 176591330) has the molecular formula C9H10F6O4 and a molecular weight of 296.16 g/mol. Its IUPAC name is 2-[3,3,4,4,5,5-hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol.

Molecular Properties

Compound Name2-[3,3,4,4,5,5-hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol
PubChem CID176591330
Molecular FormulaC9H10F6O4
Molecular Weight296.16 g/mol
Exact Mass296.05
IUPAC Name2-[3,3,4,4,5,5-hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol
SMILESOCCOC1=C(OCCO)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H10F6O4/c10-7(11)5(18-3-1-16)6(19-4-2-17)8(12,13)9(7,14)15/h16-17H,1-4H2
InChIKeyNPYXTKOYLZDHDB-UHFFFAOYSA-N
XLogP1.14
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.16
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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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
3,3,4,4,5,5-Hexafluoro-1-[2-(3,3,4,4,5,5-hexafluoro-2-methoxycyclopenten-1-yl)oxyethoxy]-2-methoxycyclopentene
CID 176591311
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-[2-[2-[3,3,4,4,5,5-Hexafluoro-2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]cyclopenten-1-yl]oxyethoxy]ethoxy]ethanol
CID 176591335
1,3,3,4,4,5,5-Heptafluoro-2-[2-[3,3,4,4,5,5-hexafluoro-2-[2-(2,3,3,4,4,5-hexafluorocyclopenten-1-yl)oxyethoxy]cyclopenten-1-yl]oxyethoxy]cyclopentene
CID 176591347
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 2-[3,3,4,4,5,5-hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol?
The IUPAC name of 2-[3,3,4,4,5,5-hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol (CID 176591330) is 2-[3,3,4,4,5,5-hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol.
What is the SMILES notation for 2-[3,3,4,4,5,5-hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol?
The canonical SMILES for 2-[3,3,4,4,5,5-hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol is OCCOC1=C(OCCO)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-[3,3,4,4,5,5-hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol?
The InChIKey is NPYXTKOYLZDHDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F6O4/c10-7(11)5(18-3-1-16)6(19-4-2-17)8(12,13)9(7,14)15/h16-17H,1-4H2.
What are the key properties of 2-[3,3,4,4,5,5-hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol?
2-[3,3,4,4,5,5-hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol has a molecular weight of 296.16 g/mol, XLogP of 1.14, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,3,4,4,5,5-hexafluoro-2-(2-hydroxyethoxy)cyclopenten-1-yl]oxyethanol is sourced from PubChem (CID 176591330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).