2-butyl-2,3,3,4,4,5,5-heptafluorooxolane

C8H9F7O — CID 15952462

IUPAC2-butyl-2,3,3,4,4,5,5-heptafluorooxolane
SMILESCCCCC1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H9F7O/c1-2-3-4-5(9)6(10,11)7(12,13)8(14,15)16-5/h2-4H2,1H3
InChIKeyLBALIZSURVOYNC-UHFFFAOYSA-N
MW254.14 g/mol
LogP3.74
Rot. Bonds3

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

2-butyl-2,3,3,4,4,5,5-heptafluorooxolane (PubChem CID 15952462) has the molecular formula C8H9F7O and a molecular weight of 254.14 g/mol. Its IUPAC name is 2-butyl-2,3,3,4,4,5,5-heptafluorooxolane.

Molecular Properties

Compound Name2-butyl-2,3,3,4,4,5,5-heptafluorooxolane
PubChem CID15952462
Molecular FormulaC8H9F7O
Molecular Weight254.14 g/mol
Exact Mass254.05
IUPAC Name2-butyl-2,3,3,4,4,5,5-heptafluorooxolane
SMILESCCCCC1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C8H9F7O/c1-2-3-4-5(9)6(10,11)7(12,13)8(14,15)16-5/h2-4H2,1H3
InChIKeyLBALIZSURVOYNC-UHFFFAOYSA-N
XLogP3.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 53.74
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-butyl-2,3,3,4,4,5,5-heptafluorooxolane?
The IUPAC name of 2-butyl-2,3,3,4,4,5,5-heptafluorooxolane (CID 15952462) is 2-butyl-2,3,3,4,4,5,5-heptafluorooxolane.
What is the SMILES notation for 2-butyl-2,3,3,4,4,5,5-heptafluorooxolane?
The canonical SMILES for 2-butyl-2,3,3,4,4,5,5-heptafluorooxolane is CCCCC1(F)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of 2-butyl-2,3,3,4,4,5,5-heptafluorooxolane?
The InChIKey is LBALIZSURVOYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F7O/c1-2-3-4-5(9)6(10,11)7(12,13)8(14,15)16-5/h2-4H2,1H3.
What are the key properties of 2-butyl-2,3,3,4,4,5,5-heptafluorooxolane?
2-butyl-2,3,3,4,4,5,5-heptafluorooxolane has a molecular weight of 254.14 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-2,3,3,4,4,5,5-heptafluorooxolane is sourced from PubChem (CID 15952462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).