9-ethenoxy-1,1,1,3,3,4,4,7,7,8,8-undecafluorononane

C11H11F11O — CID 121480379

IUPAC9-ethenoxy-1,1,1,3,3,4,4,7,7,8,8-undecafluorononane
SMILESC=COCC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C11H11F11O/c1-2-23-6-10(18,19)8(14,15)4-3-7(12,13)9(16,17)5-11(20,21)22/h2H,1,3-6H2
InChIKeyJGYZOZQKZDDFTJ-UHFFFAOYSA-N
MW368.19 g/mol
LogP5.42
Rot. Bonds9

About 9-ethenoxy-1,1,1,3,3,4,4,7,7,8,8-undecafluorononane

9-ethenoxy-1,1,1,3,3,4,4,7,7,8,8-undecafluorononane (PubChem CID 121480379) has the molecular formula C11H11F11O and a molecular weight of 368.19 g/mol. Its IUPAC name is 9-ethenoxy-1,1,1,3,3,4,4,7,7,8,8-undecafluorononane.

Molecular Properties

Compound Name9-ethenoxy-1,1,1,3,3,4,4,7,7,8,8-undecafluorononane
PubChem CID121480379
Molecular FormulaC11H11F11O
Molecular Weight368.19 g/mol
Exact Mass368.06
IUPAC Name9-ethenoxy-1,1,1,3,3,4,4,7,7,8,8-undecafluorononane
SMILESC=COCC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)CC(F)(F)F
InChIInChI=1S/C11H11F11O/c1-2-23-6-10(18,19)8(14,15)4-3-7(12,13)9(16,17)5-11(20,21)22/h2H,1,3-6H2
InChIKeyJGYZOZQKZDDFTJ-UHFFFAOYSA-N
XLogP5.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.19
LogP ≤ 55.42
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-1,1,1,3,3,4,4,7,7,8,8-undecafluorononane?
The IUPAC name of 9-ethenoxy-1,1,1,3,3,4,4,7,7,8,8-undecafluorononane (CID 121480379) is 9-ethenoxy-1,1,1,3,3,4,4,7,7,8,8-undecafluorononane.
What is the SMILES notation for 9-ethenoxy-1,1,1,3,3,4,4,7,7,8,8-undecafluorononane?
The canonical SMILES for 9-ethenoxy-1,1,1,3,3,4,4,7,7,8,8-undecafluorononane is C=COCC(F)(F)C(F)(F)CCC(F)(F)C(F)(F)CC(F)(F)F.
What is the InChIKey of 9-ethenoxy-1,1,1,3,3,4,4,7,7,8,8-undecafluorononane?
The InChIKey is JGYZOZQKZDDFTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F11O/c1-2-23-6-10(18,19)8(14,15)4-3-7(12,13)9(16,17)5-11(20,21)22/h2H,1,3-6H2.
What are the key properties of 9-ethenoxy-1,1,1,3,3,4,4,7,7,8,8-undecafluorononane?
9-ethenoxy-1,1,1,3,3,4,4,7,7,8,8-undecafluorononane has a molecular weight of 368.19 g/mol, XLogP of 5.42, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 9-ethenoxy-1,1,1,3,3,4,4,7,7,8,8-undecafluorononane is sourced from PubChem (CID 121480379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).