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

C11H14F6O3 — CID 176591346

IUPAC3,3,4,4,5,5-hexafluoro-1-[2-(2-methoxyethoxy)ethoxy]-2-methylcyclopentene
SMILESCOCCOCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H14F6O3/c1-7-8(20-6-5-19-4-3-18-2)10(14,15)11(16,17)9(7,12)13/h3-6H2,1-2H3
InChIKeyVIFHBJWDENLYFT-UHFFFAOYSA-N
MW308.22 g/mol
LogP2.86
Rot. Bonds7

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

3,3,4,4,5,5-hexafluoro-1-[2-(2-methoxyethoxy)ethoxy]-2-methylcyclopentene (PubChem CID 176591346) has the molecular formula C11H14F6O3 and a molecular weight of 308.22 g/mol. Its IUPAC name is 3,3,4,4,5,5-hexafluoro-1-[2-(2-methoxyethoxy)ethoxy]-2-methylcyclopentene.

Molecular Properties

Compound Name3,3,4,4,5,5-hexafluoro-1-[2-(2-methoxyethoxy)ethoxy]-2-methylcyclopentene
PubChem CID176591346
Molecular FormulaC11H14F6O3
Molecular Weight308.22 g/mol
Exact Mass308.08
IUPAC Name3,3,4,4,5,5-hexafluoro-1-[2-(2-methoxyethoxy)ethoxy]-2-methylcyclopentene
SMILESCOCCOCCOC1=C(C)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H14F6O3/c1-7-8(20-6-5-19-4-3-18-2)10(14,15)11(16,17)9(7,12)13/h3-6H2,1-2H3
InChIKeyVIFHBJWDENLYFT-UHFFFAOYSA-N
XLogP2.86
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.22
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-Methyl-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 12869549
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-[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

Frequently Asked Questions

What is the IUPAC name of 3,3,4,4,5,5-hexafluoro-1-[2-(2-methoxyethoxy)ethoxy]-2-methylcyclopentene?
The IUPAC name of 3,3,4,4,5,5-hexafluoro-1-[2-(2-methoxyethoxy)ethoxy]-2-methylcyclopentene (CID 176591346) is 3,3,4,4,5,5-hexafluoro-1-[2-(2-methoxyethoxy)ethoxy]-2-methylcyclopentene.
What is the SMILES notation for 3,3,4,4,5,5-hexafluoro-1-[2-(2-methoxyethoxy)ethoxy]-2-methylcyclopentene?
The canonical SMILES for 3,3,4,4,5,5-hexafluoro-1-[2-(2-methoxyethoxy)ethoxy]-2-methylcyclopentene is COCCOCCOC1=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-methoxyethoxy)ethoxy]-2-methylcyclopentene?
The InChIKey is VIFHBJWDENLYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6O3/c1-7-8(20-6-5-19-4-3-18-2)10(14,15)11(16,17)9(7,12)13/h3-6H2,1-2H3.
What are the key properties of 3,3,4,4,5,5-hexafluoro-1-[2-(2-methoxyethoxy)ethoxy]-2-methylcyclopentene?
3,3,4,4,5,5-hexafluoro-1-[2-(2-methoxyethoxy)ethoxy]-2-methylcyclopentene has a molecular weight of 308.22 g/mol, XLogP of 2.86, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,4,4,5,5-hexafluoro-1-[2-(2-methoxyethoxy)ethoxy]-2-methylcyclopentene is sourced from PubChem (CID 176591346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).