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

C11H6F16O — CID 141204802

IUPAC1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane
SMILESC=COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C11H6F16O/c1-2-28-11(26,27)10(24,25)9(22,23)8(20,21)7(18,19)6(16,17)4(12)3-5(13,14)15/h2,4H,1,3H2
InChIKeyAOSMWUCBSCQFNZ-UHFFFAOYSA-N
MW458.14 g/mol
LogP6.21
Rot. Bonds9

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

1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane (PubChem CID 141204802) has the molecular formula C11H6F16O and a molecular weight of 458.14 g/mol. Its IUPAC name is 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane.

Molecular Properties

Compound Name1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane
PubChem CID141204802
Molecular FormulaC11H6F16O
Molecular Weight458.14 g/mol
Exact Mass458.02
IUPAC Name1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane
SMILESC=COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F
InChIInChI=1S/C11H6F16O/c1-2-28-11(26,27)10(24,25)9(22,23)8(20,21)7(18,19)6(16,17)4(12)3-5(13,14)15/h2,4H,1,3H2
InChIKeyAOSMWUCBSCQFNZ-UHFFFAOYSA-N
XLogP6.21
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.14
LogP ≤ 56.21
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'}

Analyze 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane?
The IUPAC name of 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane (CID 141204802) is 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane.
What is the SMILES notation for 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane?
The canonical SMILES for 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane is C=COC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)CC(F)(F)F.
What is the InChIKey of 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane?
The InChIKey is AOSMWUCBSCQFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F16O/c1-2-28-11(26,27)10(24,25)9(22,23)8(20,21)7(18,19)6(16,17)4(12)3-5(13,14)15/h2,4H,1,3H2.
What are the key properties of 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane?
1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane has a molecular weight of 458.14 g/mol, XLogP of 6.21, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxy-1,1,2,2,3,3,4,4,5,5,6,6,7,9,9,9-hexadecafluorononane is sourced from PubChem (CID 141204802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).