3,3,4,4,5,5-hexafluoro-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylcyclopentene

C15H22F6O5 — CID 176591349

IUPAC3,3,4,4,5,5-hexafluoro-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylcyclopentene
SMILESCOCCOCCOCCOCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C15H22F6O5/c1-11-12(14(18,19)15(20,21)13(11,16)17)26-10-9-25-8-7-24-6-5-23-4-3-22-2/h3-10H2,1-2H3
InChIKeyUAYDUISAEDICAA-UHFFFAOYSA-N
MW396.32 g/mol
LogP2.89
Rot. Bonds13

About 3,3,4,4,5,5-hexafluoro-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylcyclopentene

3,3,4,4,5,5-hexafluoro-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylcyclopentene (PubChem CID 176591349) has the molecular formula C15H22F6O5 and a molecular weight of 396.32 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylcyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylcyclopentene
PubChem CID176591349
Molecular FormulaC15H22F6O5
Molecular Weight396.32 g/mol
Exact Mass396.14
IUPAC Name3,3,4,4,5,5-hexafluoro-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylcyclopentene
SMILESCOCCOCCOCCOCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C15H22F6O5/c1-11-12(14(18,19)15(20,21)13(11,16)17)26-10-9-25-8-7-24-6-5-23-4-3-22-2/h3-10H2,1-2H3
InChIKeyUAYDUISAEDICAA-UHFFFAOYSA-N
XLogP2.89
TPSA46.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.32
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-Methyl-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 12869549
2,3-Bis(2,2,2-trifluoroethoxy)oct-2-ene
CID 141403805
3,3,4,4,5,5-Hexafluoro-1-[6-(5-methoxypentoxy)hexoxy]-2-methylcyclopentene
CID 176591312
3,3,4,4,5,5-Hexafluoro-1-(4-methoxybutoxy)-2-methylcyclopentene
CID 176591313
3,3,4,4,5,5-Hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene
CID 176591325
3,3,4,4,5,5-Hexafluoro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene
CID 176591333
3,3,4,4,5,5-Hexafluoro-1-(6-methoxy-4-methylhexoxy)-2-methylcyclopentene
CID 176591338
3,3,4,4,5,5-Hexafluoro-1-(2-methoxyethoxy)-2-methylcyclopentene
CID 176591340
3,3,4,4,5,5-Hexafluoro-1-(3-methoxypropoxy)-2-methylcyclopentene
CID 176591344
3,3,4,4,5,5-Hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene
CID 176591345
3,3,4,4,5,5-Hexafluoro-1-[2-(2-methoxyethoxy)ethoxy]-2-methylcyclopentene
CID 176591346
3,3,4,4,5,5-Hexafluoro-1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]-2-methylcyclopentene
CID 176591350

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylcyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylcyclopentene (CID 176591349) is 3,3,4,4,5,5-hexafluoro-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylcyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylcyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylcyclopentene is COCCOCCOCCOCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylcyclopentene?
The InChIKey is UAYDUISAEDICAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22F6O5/c1-11-12(14(18,19)15(20,21)13(11,16)17)26-10-9-25-8-7-24-6-5-23-4-3-22-2/h3-10H2,1-2H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylcyclopentene?
3,3,4,4,5,5-hexafluoro-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylcyclopentene has a molecular weight of 396.32 g/mol, XLogP of 2.89, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylcyclopentene is sourced from PubChem (CID 176591349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).