3,3,4,4,5,5-hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene

C13H18F6O2 — CID 176591345

IUPAC3,3,4,4,5,5-hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene
SMILESCOCCCCCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H18F6O2/c1-9-10(21-8-6-4-3-5-7-20-2)12(16,17)13(18,19)11(9,14)15/h3-8H2,1-2H3
InChIKeyGTYIJMUZLRUCHC-UHFFFAOYSA-N
MW320.27 g/mol
LogP4.40
Rot. Bonds8

About 3,3,4,4,5,5-hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene

3,3,4,4,5,5-hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene (PubChem CID 176591345) has the molecular formula C13H18F6O2 and a molecular weight of 320.27 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene
PubChem CID176591345
Molecular FormulaC13H18F6O2
Molecular Weight320.27 g/mol
Exact Mass320.12
IUPAC Name3,3,4,4,5,5-hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene
SMILESCOCCCCCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C13H18F6O2/c1-9-10(21-8-6-4-3-5-7-20-2)12(16,17)13(18,19)11(9,14)15/h3-8H2,1-2H3
InChIKeyGTYIJMUZLRUCHC-UHFFFAOYSA-N
XLogP4.40
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.27
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[1,1,1,4,4,5,5,5-Octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane
CID 12726234
2-[1,1,1,4,4,5,5,5-Octafluoro-2-(trifluoromethyl)pent-2-en-3-yl]oxyoctane
CID 134881341
1-Methyl-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 12869549
4-Ethyl-2-methyl-5-(trifluoromethyl)-2,3-dihydrofuran
CID 89041411
1-[1,1,1,2,5,5,6,6,7,7,7-Undecafluoro-2,4-bis(trifluoromethyl)hept-3-en-3-yl]oxyoctadecane
CID 139711765
2,3-Bis(2,2,2-trifluoroethoxy)oct-2-ene
CID 141403805
1,3,3,4,4,5,5-Heptafluoro-2-hexoxycyclopentene
CID 158958315
1-Ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene
CID 167433160
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-(5-methoxy-3-methylpentoxy)-2-methylcyclopentene
CID 176591317
3,3,4,4,5,5-Hexafluoro-1-[1-[1-(1-methoxypropan-2-yloxy)propan-2-yloxy]propan-2-yloxy]-2-methylcyclopentene
CID 176591325

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene (CID 176591345) is 3,3,4,4,5,5-hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene is COCCCCCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 3,3,4,4,5,5-hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene?
The InChIKey is GTYIJMUZLRUCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18F6O2/c1-9-10(21-8-6-4-3-5-7-20-2)12(16,17)13(18,19)11(9,14)15/h3-8H2,1-2H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene?
3,3,4,4,5,5-hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene has a molecular weight of 320.27 g/mol, XLogP of 4.40, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1-(6-methoxyhexoxy)-2-methylcyclopentene is sourced from PubChem (CID 176591345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).