8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane

C10H4F16O — CID 22670076

IUPAC8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane
SMILESC=COC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4F16O/c1-2-27-3(11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h2-3H,1H2
InChIKeyZOQBJBFQYNUWRW-UHFFFAOYSA-N
MW444.11 g/mol
LogP5.82
Rot. Bonds8

About 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane

8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane (PubChem CID 22670076) has the molecular formula C10H4F16O and a molecular weight of 444.11 g/mol. Its IUPAC name is 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane.

Molecular Properties

Compound Name8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane
PubChem CID22670076
Molecular FormulaC10H4F16O
Molecular Weight444.11 g/mol
Exact Mass444.00
IUPAC Name8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane
SMILESC=COC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C10H4F16O/c1-2-27-3(11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h2-3H,1H2
InChIKeyZOQBJBFQYNUWRW-UHFFFAOYSA-N
XLogP5.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.11
LogP ≤ 55.82
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 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane?
The IUPAC name of 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane (CID 22670076) is 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane.
What is the SMILES notation for 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane?
The canonical SMILES for 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane is C=COC(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane?
The InChIKey is ZOQBJBFQYNUWRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F16O/c1-2-27-3(11)4(12,13)5(14,15)6(16,17)7(18,19)8(20,21)9(22,23)10(24,25)26/h2-3H,1H2.
What are the key properties of 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane?
8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane has a molecular weight of 444.11 g/mol, XLogP of 5.82, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-ethenoxy-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8-hexadecafluorooctane is sourced from PubChem (CID 22670076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).