2-(2-ethoxyethoxymethyl)-2,3,3,4,4,5,5-heptafluorooxolane

C9H11F7O3 — CID 89366620

IUPAC2-(2-ethoxyethoxymethyl)-2,3,3,4,4,5,5-heptafluorooxolane
SMILESCCOCCOCC1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H11F7O3/c1-2-17-3-4-18-5-6(10)7(11,12)8(13,14)9(15,16)19-6/h2-5H2,1H3
InChIKeyUFTPJKPWQYKQCT-UHFFFAOYSA-N
MW300.17 g/mol
LogP2.60
Rot. Bonds6

About 2-(2-ethoxyethoxymethyl)-2,3,3,4,4,5,5-heptafluorooxolane

2-(2-ethoxyethoxymethyl)-2,3,3,4,4,5,5-heptafluorooxolane (PubChem CID 89366620) has the molecular formula C9H11F7O3 and a molecular weight of 300.17 g/mol. Its IUPAC name is 2-(2-ethoxyethoxymethyl)-2,3,3,4,4,5,5-heptafluorooxolane.

Molecular Properties

Compound Name2-(2-ethoxyethoxymethyl)-2,3,3,4,4,5,5-heptafluorooxolane
PubChem CID89366620
Molecular FormulaC9H11F7O3
Molecular Weight300.17 g/mol
Exact Mass300.06
IUPAC Name2-(2-ethoxyethoxymethyl)-2,3,3,4,4,5,5-heptafluorooxolane
SMILESCCOCCOCC1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H11F7O3/c1-2-17-3-4-18-5-6(10)7(11,12)8(13,14)9(15,16)19-6/h2-5H2,1H3
InChIKeyUFTPJKPWQYKQCT-UHFFFAOYSA-N
XLogP2.60
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.17
LogP ≤ 52.60
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-ethoxyethoxymethyl)-2,3,3,4,4,5,5-heptafluorooxolane?
The IUPAC name of 2-(2-ethoxyethoxymethyl)-2,3,3,4,4,5,5-heptafluorooxolane (CID 89366620) is 2-(2-ethoxyethoxymethyl)-2,3,3,4,4,5,5-heptafluorooxolane.
What is the SMILES notation for 2-(2-ethoxyethoxymethyl)-2,3,3,4,4,5,5-heptafluorooxolane?
The canonical SMILES for 2-(2-ethoxyethoxymethyl)-2,3,3,4,4,5,5-heptafluorooxolane is CCOCCOCC1(F)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-(2-ethoxyethoxymethyl)-2,3,3,4,4,5,5-heptafluorooxolane?
The InChIKey is UFTPJKPWQYKQCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F7O3/c1-2-17-3-4-18-5-6(10)7(11,12)8(13,14)9(15,16)19-6/h2-5H2,1H3.
What are the key properties of 2-(2-ethoxyethoxymethyl)-2,3,3,4,4,5,5-heptafluorooxolane?
2-(2-ethoxyethoxymethyl)-2,3,3,4,4,5,5-heptafluorooxolane has a molecular weight of 300.17 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethoxyethoxymethyl)-2,3,3,4,4,5,5-heptafluorooxolane is sourced from PubChem (CID 89366620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).