2-ethyl-2,3,3,4,4,5,5-heptafluorooxolane

C6H5F7O — CID 22172825

IUPAC2-ethyl-2,3,3,4,4,5,5-heptafluorooxolane
SMILESCCC1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H5F7O/c1-2-3(7)4(8,9)5(10,11)6(12,13)14-3/h2H2,1H3
InChIKeyHZOAXGPBZKGFRT-UHFFFAOYSA-N
MW226.09 g/mol
LogP2.96
Rot. Bonds1

About 2-ethyl-2,3,3,4,4,5,5-heptafluorooxolane

2-ethyl-2,3,3,4,4,5,5-heptafluorooxolane (PubChem CID 22172825) has the molecular formula C6H5F7O and a molecular weight of 226.09 g/mol. Its IUPAC name is 2-ethyl-2,3,3,4,4,5,5-heptafluorooxolane.

Molecular Properties

Compound Name2-ethyl-2,3,3,4,4,5,5-heptafluorooxolane
PubChem CID22172825
Molecular FormulaC6H5F7O
Molecular Weight226.09 g/mol
Exact Mass226.02
IUPAC Name2-ethyl-2,3,3,4,4,5,5-heptafluorooxolane
SMILESCCC1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C6H5F7O/c1-2-3(7)4(8,9)5(10,11)6(12,13)14-3/h2H2,1H3
InChIKeyHZOAXGPBZKGFRT-UHFFFAOYSA-N
XLogP2.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.09
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-ethyl-2,3,3,4,4,5,5-heptafluorooxolane?
The IUPAC name of 2-ethyl-2,3,3,4,4,5,5-heptafluorooxolane (CID 22172825) is 2-ethyl-2,3,3,4,4,5,5-heptafluorooxolane.
What is the SMILES notation for 2-ethyl-2,3,3,4,4,5,5-heptafluorooxolane?
The canonical SMILES for 2-ethyl-2,3,3,4,4,5,5-heptafluorooxolane is CCC1(F)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-ethyl-2,3,3,4,4,5,5-heptafluorooxolane?
The InChIKey is HZOAXGPBZKGFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F7O/c1-2-3(7)4(8,9)5(10,11)6(12,13)14-3/h2H2,1H3.
What are the key properties of 2-ethyl-2,3,3,4,4,5,5-heptafluorooxolane?
2-ethyl-2,3,3,4,4,5,5-heptafluorooxolane has a molecular weight of 226.09 g/mol, XLogP of 2.96, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2,3,3,4,4,5,5-heptafluorooxolane is sourced from PubChem (CID 22172825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).