4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one

C₁₀H₈F₈O₅ — CID 153312365

About 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one

4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one (PubChem CID 153312365) has the molecular formula C₁₀H₈F₈O₅ and a molecular weight of 360.15 g/mol. Its IUPAC name is 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one.

Molecular Properties

• Compound Name: 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
• PubChem CID: 153312365
• Molecular Formula: C₁₀H₈F₈O₅
• Molecular Weight: 360.15 g/mol
• Exact Mass: 360.02
• IUPAC Name: 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one
• SMILES: O=c1occ(COCC(F)(OCC(F)(F)C(F)F)C(F)(F)F)o1
• InChI: InChI=1S/C10H8F8O5/c11-6(12)8(13,14)3-22-9(15,10(16,17)18)4-20-1-5-2-21-7(19)23-5/h2,6H,1,3-4H2
• InChIKey: XQSFDYNHBDTAOT-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 61.81 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	360.15
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one?

The IUPAC name of 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one (CID 153312365) is 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one.

What is the SMILES notation for 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one?

The canonical SMILES for 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one is O=c1occ(COCC(F)(OCC(F)(F)C(F)F)C(F)(F)F)o1.

What is the InChIKey of 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one?

The InChIKey is XQSFDYNHBDTAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F8O5/c11-6(12)8(13,14)3-22-9(15,10(16,17)18)4-20-1-5-2-21-7(19)23-5/h2,6H,1,3-4H2.

What are the key properties of 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one?

4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one has a molecular weight of 360.15 g/mol, XLogP of 2.89, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2,3,3,3-tetrafluoro-2-(2,2,3,3-tetrafluoropropoxy)propoxy]methyl]-1,3-dioxol-2-one is sourced from PubChem (CID 153312365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 153312365 — identifiers, structure, computed properties (public domain)

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