1-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene

C9H5F11O — CID 167433160

IUPAC1-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene
SMILESCCOC1=C(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H5F11O/c1-2-21-4-3(6(12,13)9(18,19)20)5(10,11)8(16,17)7(4,14)15/h2H2,1H3
InChIKeyAEXHOUMUYIZLFM-UHFFFAOYSA-N
MW338.12 g/mol
LogP4.39
Rot. Bonds3

About 1-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene

1-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene (PubChem CID 167433160) has the molecular formula C9H5F11O and a molecular weight of 338.12 g/mol. Its IUPAC name is 1-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene.

Molecular Properties

Compound Name1-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene
PubChem CID167433160
Molecular FormulaC9H5F11O
Molecular Weight338.12 g/mol
Exact Mass338.02
IUPAC Name1-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene
SMILESCCOC1=C(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H5F11O/c1-2-21-4-3(6(12,13)9(18,19)20)5(10,11)8(16,17)7(4,14)15/h2H2,1H3
InChIKeyAEXHOUMUYIZLFM-UHFFFAOYSA-N
XLogP4.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.12
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene 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-Ethoxy-2,3,3,4,4,5,5,6,6-nonafluorocyclohex-1-ene
CID 75258
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
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
1,3,3,4,4,5,5-Heptafluoro-2-hexoxycyclopentene
CID 158958315
3,3,4,4,5,5-Hexafluoro-1-(1,1,2,2,2-pentafluoroethyl)-2-(2,2,2-trifluoroethoxy)cyclopentene
CID 167433155
3,3,4,4,5,5-Hexafluoro-1-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)-2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)cyclopentene
CID 167433157
3,3,4,4,5,5-Hexafluoro-1-(4-methoxybutoxy)-2-methylcyclopentene
CID 176591313
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 1-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene?
The IUPAC name of 1-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene (CID 167433160) is 1-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene.
What is the SMILES notation for 1-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene?
The canonical SMILES for 1-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene is CCOC1=C(C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 1-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene?
The InChIKey is AEXHOUMUYIZLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F11O/c1-2-21-4-3(6(12,13)9(18,19)20)5(10,11)8(16,17)7(4,14)15/h2H2,1H3.
What are the key properties of 1-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene?
1-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene has a molecular weight of 338.12 g/mol, XLogP of 4.39, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,2,2,2-pentafluoroethyl)cyclopentene is sourced from PubChem (CID 167433160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).