11-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoroundecane

C13H10F16O — CID 59641449

IUPAC11-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoroundecane
SMILESC=COCCCC(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/C13H10F16O/c1-2-30-5-3-4-7(16,17)9(20,21)11(24,25)13(28,29)12(26,27)10(22,23)8(18,19)6(14)15/h2,6H,1,3-5H2
InChIKeyFUKCWRNMYFJSDY-UHFFFAOYSA-N
MW486.19 g/mol
LogP6.64
Rot. Bonds12

About 11-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoroundecane

11-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoroundecane (PubChem CID 59641449) has the molecular formula C13H10F16O and a molecular weight of 486.19 g/mol. Its IUPAC name is 11-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoroundecane.

Molecular Properties

Compound Name11-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoroundecane
PubChem CID59641449
Molecular FormulaC13H10F16O
Molecular Weight486.19 g/mol
Exact Mass486.05
IUPAC Name11-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoroundecane
SMILESC=COCCCC(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/C13H10F16O/c1-2-30-5-3-4-7(16,17)9(20,21)11(24,25)13(28,29)12(26,27)10(22,23)8(18,19)6(14)15/h2,6H,1,3-5H2
InChIKeyFUKCWRNMYFJSDY-UHFFFAOYSA-N
XLogP6.64
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.19
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 11-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoroundecane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 11-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoroundecane?
The IUPAC name of 11-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoroundecane (CID 59641449) is 11-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoroundecane.
What is the SMILES notation for 11-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoroundecane?
The canonical SMILES for 11-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoroundecane is C=COCCCC(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 11-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoroundecane?
The InChIKey is FUKCWRNMYFJSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F16O/c1-2-30-5-3-4-7(16,17)9(20,21)11(24,25)13(28,29)12(26,27)10(22,23)8(18,19)6(14)15/h2,6H,1,3-5H2.
What are the key properties of 11-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoroundecane?
11-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoroundecane has a molecular weight of 486.19 g/mol, XLogP of 6.64, 12 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-hexadecafluoroundecane is sourced from PubChem (CID 59641449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).