[2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite

C₉H₁₁F₉O₆ — CID 154623546

About [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite

[2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite (PubChem CID 154623546) has the molecular formula C₉H₁₁F₉O₆ and a molecular weight of 386.16 g/mol. Its IUPAC name is [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite.

Molecular Properties

• Compound Name: [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite
• PubChem CID: 154623546
• Molecular Formula: C₉H₁₁F₉O₆
• Molecular Weight: 386.16 g/mol
• Exact Mass: 386.04
• IUPAC Name: [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite
• SMILES: OC(COCC(O)(F)F)COCC(F)(F)OC(F)(F)C(F)(F)OF
• InChI: InChI=1S/C9H11F9O6/c10-6(11,20)3-21-1-5(19)2-22-4-7(12,13)23-8(14,15)9(16,17)24-18/h5,19-20H,1-4H2
• InChIKey: SIEMTYVPGGMZLF-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 77.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 12
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	386.16
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite?

The IUPAC name of [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite (CID 154623546) is [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite.

What is the SMILES notation for [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite?

The canonical SMILES for [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite is OC(COCC(O)(F)F)COCC(F)(F)OC(F)(F)C(F)(F)OF.

What is the InChIKey of [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite?

The InChIKey is SIEMTYVPGGMZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F9O6/c10-6(11,20)3-21-1-5(19)2-22-4-7(12,13)23-8(14,15)9(16,17)24-18/h5,19-20H,1-4H2.

What are the key properties of [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite?

[2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite has a molecular weight of 386.16 g/mol, XLogP of 1.66, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[2-[3-(2,2-difluoro-2-hydroxyethoxy)-2-hydroxypropoxy]-1,1-difluoroethoxy]-1,1,2,2-tetrafluoroethyl] hypofluorite is sourced from PubChem (CID 154623546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 154623546 — identifiers, structure, computed properties (public domain)

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