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

C28H38F12O11 — CID 176591334

IUPAC3-[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
SMILESCOCCOCCOC1=C(OCCOCCOCCOCCOC2=C(OCCOCCCO)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C28H38F12O11/c1-42-5-6-44-12-16-49-21-22(26(35,36)28(39,40)25(21,33)34)51-18-14-47-10-8-45-7-9-46-13-17-50-20-19(48-15-11-43-4-2-3-41)23(29,30)27(37,38)24(20,31)32/h41H,2-18H2,1H3
InChIKeyMUWPQASDXFRHGD-UHFFFAOYSA-N
MW778.58 g/mol
LogP4.43
Rot. Bonds28

About 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

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 (PubChem CID 176591334) has the molecular formula C28H38F12O11 and a molecular weight of 778.58 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-[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
PubChem CID176591334
Molecular FormulaC28H38F12O11
Molecular Weight778.58 g/mol
Exact Mass778.22
IUPAC Name3-[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
SMILESCOCCOCCOC1=C(OCCOCCOCCOCCOC2=C(OCCOCCCO)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C28H38F12O11/c1-42-5-6-44-12-16-49-21-22(26(35,36)28(39,40)25(21,33)34)51-18-14-47-10-8-45-7-9-46-13-17-50-20-19(48-15-11-43-4-2-3-41)23(29,30)27(37,38)24(20,31)32/h41H,2-18H2,1H3
InChIKeyMUWPQASDXFRHGD-UHFFFAOYSA-N
XLogP4.43
TPSA112.53 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500778.58
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

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

Analyze 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 with MolForge

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Related Compounds

3-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propan-1-ol
CID 91809447
3-[3-[3-[3-[3-[3-[3-[3-[3-[3-[3-(2-methoxyethoxy)propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propoxy]propan-1-ol
CID 155650334
6-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]hexan-1-ol
CID 71402387
8-[2-(2-methoxyethoxy)ethoxy]octan-1-ol
CID 23043534
2-(2-hydroxyethoxy)ethanol;1-(2-methoxyethoxy)propane;3-(2-methoxyethoxy)propan-1-ol;2-propoxyethanol
CID 162022873
[3-fluoro-2-[2-(3-methoxypropoxy)ethoxy]phenyl]methanol
CID 103180585
1-(2-methoxyethoxy)-4-[4-(2-methoxyethoxy)butoxy]butane
CID 58114561
methane;1-(2-methoxyethoxy)butane;propan-1-ol
CID 167623452
ethane;2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;naphthalene
CID 123844641
2-methoxyethanol;2-(2-methoxyethoxy)ethanol
CID 87975598
sodium;ethane-1,2-diol;1-methoxy-2-(2-methoxyethoxy)ethane;hydroxide
CID 173220680
2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethanol;hydroiodide
CID 88616948

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COCCOCCOC1=C(OCCOCCOCCOCCOC2=C(OCCOCCCO)C(F)(F)C(F)(F)C2(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 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?
The InChIKey is MUWPQASDXFRHGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H38F12O11/c1-42-5-6-44-12-16-49-21-22(26(35,36)28(39,40)25(21,33)34)51-18-14-47-10-8-45-7-9-46-13-17-50-20-19(48-15-11-43-4-2-3-41)23(29,30)27(37,38)24(20,31)32/h41H,2-18H2,1H3.
What are the key properties of 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?
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 has a molecular weight of 778.58 g/mol, XLogP of 4.43, 28 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 176591334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).