9-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononane

C13H14F12O2 — CID 102450340

About 9-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononane

9-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononane (PubChem CID 102450340) has the molecular formula C13H14F12O2 and a molecular weight of 430.23 g/mol. Its IUPAC name is 9-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononane.

Molecular Properties

• Compound Name: 9-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononane
• PubChem CID: 102450340
• Molecular Formula: C13H14F12O2
• Molecular Weight: 430.23 g/mol
• Exact Mass: 430.08
• IUPAC Name: 9-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononane
• SMILES: C=COCCOCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
• InChI: InChI=1S/C13H14F12O2/c1-2-26-6-7-27-5-3-4-9(16,17)11(20,21)13(24,25)12(22,23)10(18,19)8(14)15/h2,8H,1,3-7H2
• InChIKey: SDCLYIMLECPOJN-UHFFFAOYSA-N
• XLogP: 5.38
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 13
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	430.23
LogP ≤ 5	5.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

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'}

Frequently Asked Questions

What is the IUPAC name of 9-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononane?

The IUPAC name of 9-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononane (CID 102450340) is 9-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononane.

What is the SMILES notation for 9-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononane?

The canonical SMILES for 9-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononane is C=COCCOCCCC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F.

What is the InChIKey of 9-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononane?

The InChIKey is SDCLYIMLECPOJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F12O2/c1-2-26-6-7-27-5-3-4-9(16,17)11(20,21)13(24,25)12(22,23)10(18,19)8(14)15/h2,8H,1,3-7H2.

What are the key properties of 9-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononane?

9-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononane has a molecular weight of 430.23 g/mol, XLogP of 5.38, 13 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 9-(2-ethenoxyethoxy)-1,1,2,2,3,3,4,4,5,5,6,6-dodecafluorononane is sourced from PubChem (CID 102450340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).