2-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane

C9H5F13O2 — CID 58212203

IUPAC2-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane
SMILESCCOC1(C(F)(C(F)(F)F)C(F)(F)F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H5F13O2/c1-2-23-6(3(10,7(15,16)17)8(18,19)20)4(11,12)5(13,14)9(21,22)24-6/h2H2,1H3
InChIKeyGEZKIBZQQBDFRQ-UHFFFAOYSA-N
MW392.11 g/mol
LogP4.45
Rot. Bonds3

About 2-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane

2-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane (PubChem CID 58212203) has the molecular formula C9H5F13O2 and a molecular weight of 392.11 g/mol. Its IUPAC name is 2-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane.

Molecular Properties

Compound Name2-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane
PubChem CID58212203
Molecular FormulaC9H5F13O2
Molecular Weight392.11 g/mol
Exact Mass392.01
IUPAC Name2-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane
SMILESCCOC1(C(F)(C(F)(F)F)C(F)(F)F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C9H5F13O2/c1-2-23-6(3(10,7(15,16)17)8(18,19)20)4(11,12)5(13,14)9(21,22)24-6/h2H2,1H3
InChIKeyGEZKIBZQQBDFRQ-UHFFFAOYSA-N
XLogP4.45
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.11
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane?
The IUPAC name of 2-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane (CID 58212203) is 2-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane.
What is the SMILES notation for 2-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane?
The canonical SMILES for 2-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane is CCOC1(C(F)(C(F)(F)F)C(F)(F)F)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane?
The InChIKey is GEZKIBZQQBDFRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F13O2/c1-2-23-6(3(10,7(15,16)17)8(18,19)20)4(11,12)5(13,14)9(21,22)24-6/h2H2,1H3.
What are the key properties of 2-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane?
2-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane has a molecular weight of 392.11 g/mol, XLogP of 4.45, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxy-3,3,4,4,5,5-hexafluoro-2-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)oxolane is sourced from PubChem (CID 58212203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).