5-ethenoxy-1,1,2,2,3,3,4,4-octafluoropentane

C7H6F8O — CID 3017673

IUPAC5-ethenoxy-1,1,2,2,3,3,4,4-octafluoropentane
SMILESC=COCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H6F8O/c1-2-16-3-5(10,11)7(14,15)6(12,13)4(8)9/h2,4H,1,3H2
InChIKeyLIXQMBUPLJAAOE-UHFFFAOYSA-N
MW258.11 g/mol
LogP3.32
Rot. Bonds6

About 5-ethenoxy-1,1,2,2,3,3,4,4-octafluoropentane

5-ethenoxy-1,1,2,2,3,3,4,4-octafluoropentane (PubChem CID 3017673) has the molecular formula C7H6F8O and a molecular weight of 258.11 g/mol. Its IUPAC name is 5-ethenoxy-1,1,2,2,3,3,4,4-octafluoropentane.

Molecular Properties

Compound Name5-ethenoxy-1,1,2,2,3,3,4,4-octafluoropentane
PubChem CID3017673
Molecular FormulaC7H6F8O
Molecular Weight258.11 g/mol
Exact Mass258.03
IUPAC Name5-ethenoxy-1,1,2,2,3,3,4,4-octafluoropentane
SMILESC=COCC(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C7H6F8O/c1-2-16-3-5(10,11)7(14,15)6(12,13)4(8)9/h2,4H,1,3H2
InChIKeyLIXQMBUPLJAAOE-UHFFFAOYSA-N
XLogP3.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.11
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-ethenoxy-1,1,2,2,3,3,4,4-octafluoropentane?
The IUPAC name of 5-ethenoxy-1,1,2,2,3,3,4,4-octafluoropentane (CID 3017673) is 5-ethenoxy-1,1,2,2,3,3,4,4-octafluoropentane.
What is the SMILES notation for 5-ethenoxy-1,1,2,2,3,3,4,4-octafluoropentane?
The canonical SMILES for 5-ethenoxy-1,1,2,2,3,3,4,4-octafluoropentane is C=COCC(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 5-ethenoxy-1,1,2,2,3,3,4,4-octafluoropentane?
The InChIKey is LIXQMBUPLJAAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F8O/c1-2-16-3-5(10,11)7(14,15)6(12,13)4(8)9/h2,4H,1,3H2.
What are the key properties of 5-ethenoxy-1,1,2,2,3,3,4,4-octafluoropentane?
5-ethenoxy-1,1,2,2,3,3,4,4-octafluoropentane has a molecular weight of 258.11 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenoxy-1,1,2,2,3,3,4,4-octafluoropentane is sourced from PubChem (CID 3017673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).