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

C13H18F6O4 — CID 176591333

IUPAC3,3,4,4,5,5-hexafluoro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene
SMILESCOCCOCCOCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H18F6O4/c1-9-10(12(16,17)13(18,19)11(9,14)15)23-8-7-22-6-5-21-4-3-20-2/h3-8H2,1-2H3
InChIKeyZTICSXBGVXPLTF-UHFFFAOYSA-N
MW352.27 g/mol
LogP2.88
Rot. Bonds10

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

3,3,4,4,5,5-hexafluoro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene (PubChem CID 176591333) has the molecular formula C13H18F6O4 and a molecular weight of 352.27 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene
PubChem CID176591333
Molecular FormulaC13H18F6O4
Molecular Weight352.27 g/mol
Exact Mass352.11
IUPAC Name3,3,4,4,5,5-hexafluoro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene
SMILESCOCCOCCOCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H18F6O4/c1-9-10(12(16,17)13(18,19)11(9,14)15)23-8-7-22-6-5-21-4-3-20-2/h3-8H2,1-2H3
InChIKeyZTICSXBGVXPLTF-UHFFFAOYSA-N
XLogP2.88
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.27
LogP ≤ 52.88
H-Bond Donors ≤ 50
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-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-(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-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]-2-methylcyclopentene
CID 176591349
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-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene (CID 176591333) is 3,3,4,4,5,5-hexafluoro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene is COCCOCCOCCOC1=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-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene?
The InChIKey is ZTICSXBGVXPLTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F6O4/c1-9-10(12(16,17)13(18,19)11(9,14)15)23-8-7-22-6-5-21-4-3-20-2/h3-8H2,1-2H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene?
3,3,4,4,5,5-hexafluoro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene has a molecular weight of 352.27 g/mol, XLogP of 2.88, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]-2-methylcyclopentene is sourced from PubChem (CID 176591333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).