1-(2-ethenoxy-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane

C9H5F13O4 — CID 118909864

About 1-(2-ethenoxy-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane

1-(2-ethenoxy-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane (PubChem CID 118909864) has the molecular formula C9H5F13O4 and a molecular weight of 424.11 g/mol. Its IUPAC name is 1-(2-ethenoxy-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane.

Molecular Properties

• Compound Name: 1-(2-ethenoxy-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane
• PubChem CID: 118909864
• Molecular Formula: C9H5F13O4
• Molecular Weight: 424.11 g/mol
• Exact Mass: 424.00
• IUPAC Name: 1-(2-ethenoxy-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane
• SMILES: C=COCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F
• InChI: InChI=1S/C9H5F13O4/c1-2-23-3-4(10,11)24-5(12,13)6(14,15)25-7(16,17)8(18,19)26-9(20,21)22/h2H,1,3H2
• InChIKey: SRXPICWZKBSCJQ-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 10
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.11
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(2-ethenoxy-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane?

The IUPAC name of 1-(2-ethenoxy-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane (CID 118909864) is 1-(2-ethenoxy-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane.

What is the SMILES notation for 1-(2-ethenoxy-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane?

The canonical SMILES for 1-(2-ethenoxy-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane is C=COCC(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)F.

What is the InChIKey of 1-(2-ethenoxy-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane?

The InChIKey is SRXPICWZKBSCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F13O4/c1-2-23-3-4(10,11)24-5(12,13)6(14,15)25-7(16,17)8(18,19)26-9(20,21)22/h2H,1,3H2.

What are the key properties of 1-(2-ethenoxy-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane?

1-(2-ethenoxy-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane has a molecular weight of 424.11 g/mol, XLogP of 4.68, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(2-ethenoxy-1,1-difluoroethoxy)-1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(trifluoromethoxy)ethoxy]ethane is sourced from PubChem (CID 118909864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).