9-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane

C11H6F16O — CID 3018246

IUPAC9-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane
SMILESC=COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H6F16O/c1-2-28-3-5(14,15)7(18,19)9(22,23)11(26,27)10(24,25)8(20,21)6(16,17)4(12)13/h2,4H,1,3H2
InChIKeyPLZIKMVNRWVJKM-UHFFFAOYSA-N
MW458.14 g/mol
LogP5.86
Rot. Bonds10

About 9-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane

9-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane (PubChem CID 3018246) has the molecular formula C11H6F16O and a molecular weight of 458.14 g/mol. Its IUPAC name is 9-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane.

Molecular Properties

Compound Name9-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane
PubChem CID3018246
Molecular FormulaC11H6F16O
Molecular Weight458.14 g/mol
Exact Mass458.02
IUPAC Name9-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane
SMILESC=COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
InChIInChI=1S/C11H6F16O/c1-2-28-3-5(14,15)7(18,19)9(22,23)11(26,27)10(24,25)8(20,21)6(16,17)4(12)13/h2,4H,1,3H2
InChIKeyPLZIKMVNRWVJKM-UHFFFAOYSA-N
XLogP5.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.14
LogP ≤ 55.86
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 9-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane?
The IUPAC name of 9-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane (CID 3018246) is 9-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane.
What is the SMILES notation for 9-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane?
The canonical SMILES for 9-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane is C=COCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.
What is the InChIKey of 9-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane?
The InChIKey is PLZIKMVNRWVJKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F16O/c1-2-28-3-5(14,15)7(18,19)9(22,23)11(26,27)10(24,25)8(20,21)6(16,17)4(12)13/h2,4H,1,3H2.
What are the key properties of 9-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane?
9-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane has a molecular weight of 458.14 g/mol, XLogP of 5.86, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluorononane is sourced from PubChem (CID 3018246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).