2-[1-(2-fluorooxyethoxy)-3-[1,3,4-tris[2,3-bis(2-fluorooxyethoxy)propoxy]butan-2-yloxy]propan-2-yl]oxyethyl hypofluorite

C32H58F8O20 — CID 153290233

About 2-[1-(2-fluorooxyethoxy)-3-[1,3,4-tris[2,3-bis(2-fluorooxyethoxy)propoxy]butan-2-yloxy]propan-2-yl]oxyethyl hypofluorite

2-[1-(2-fluorooxyethoxy)-3-[1,3,4-tris[2,3-bis(2-fluorooxyethoxy)propoxy]butan-2-yloxy]propan-2-yl]oxyethyl hypofluorite (PubChem CID 153290233) has the molecular formula C32H58F8O20 and a molecular weight of 914.78 g/mol. Its IUPAC name is 2-[1-(2-fluorooxyethoxy)-3-[1,3,4-tris[2,3-bis(2-fluorooxyethoxy)propoxy]butan-2-yloxy]propan-2-yl]oxyethyl hypofluorite.

Molecular Properties

• Compound Name: 2-[1-(2-fluorooxyethoxy)-3-[1,3,4-tris[2,3-bis(2-fluorooxyethoxy)propoxy]butan-2-yloxy]propan-2-yl]oxyethyl hypofluorite
• PubChem CID: 153290233
• Molecular Formula: C32H58F8O20
• Molecular Weight: 914.78 g/mol
• Exact Mass: 914.34
• IUPAC Name: 2-[1-(2-fluorooxyethoxy)-3-[1,3,4-tris[2,3-bis(2-fluorooxyethoxy)propoxy]butan-2-yloxy]propan-2-yl]oxyethyl hypofluorite
• SMILES: FOCCOCC(COCC(OCC(COCCOF)OCCOF)C(COCC(COCCOF)OCCOF)OCC(COCCOF)OCCOF)OCCOF
• InChI: InChI=1S/C32H58F8O20/c33-53-9-1-41-17-27(47-5-13-57-37)21-45-25-31(51-23-29(49-7-15-59-39)19-43-3-11-55-35)32(52-24-30(50-8-16-60-40)20-44-4-12-56-36)26-46-22-28(48-6-14-58-38)18-42-2-10-54-34/h27-32H,1-26H2
• InChIKey: FBPDEUOAEFOILM-UHFFFAOYSA-N
• XLogP: 2.61
• TPSA: 184.60 Ų
• H-Bond Acceptors: 20
• Rotatable Bonds: 51
• Heavy Atoms: 60
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	914.78
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	20

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorooxyethoxy)-3-[1,3,4-tris[2,3-bis(2-fluorooxyethoxy)propoxy]butan-2-yloxy]propan-2-yl]oxyethyl hypofluorite?

The IUPAC name of 2-[1-(2-fluorooxyethoxy)-3-[1,3,4-tris[2,3-bis(2-fluorooxyethoxy)propoxy]butan-2-yloxy]propan-2-yl]oxyethyl hypofluorite (CID 153290233) is 2-[1-(2-fluorooxyethoxy)-3-[1,3,4-tris[2,3-bis(2-fluorooxyethoxy)propoxy]butan-2-yloxy]propan-2-yl]oxyethyl hypofluorite.

What is the SMILES notation for 2-[1-(2-fluorooxyethoxy)-3-[1,3,4-tris[2,3-bis(2-fluorooxyethoxy)propoxy]butan-2-yloxy]propan-2-yl]oxyethyl hypofluorite?

The canonical SMILES for 2-[1-(2-fluorooxyethoxy)-3-[1,3,4-tris[2,3-bis(2-fluorooxyethoxy)propoxy]butan-2-yloxy]propan-2-yl]oxyethyl hypofluorite is FOCCOCC(COCC(OCC(COCCOF)OCCOF)C(COCC(COCCOF)OCCOF)OCC(COCCOF)OCCOF)OCCOF.

What is the InChIKey of 2-[1-(2-fluorooxyethoxy)-3-[1,3,4-tris[2,3-bis(2-fluorooxyethoxy)propoxy]butan-2-yloxy]propan-2-yl]oxyethyl hypofluorite?

The InChIKey is FBPDEUOAEFOILM-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H58F8O20/c33-53-9-1-41-17-27(47-5-13-57-37)21-45-25-31(51-23-29(49-7-15-59-39)19-43-3-11-55-35)32(52-24-30(50-8-16-60-40)20-44-4-12-56-36)26-46-22-28(48-6-14-58-38)18-42-2-10-54-34/h27-32H,1-26H2.

What are the key properties of 2-[1-(2-fluorooxyethoxy)-3-[1,3,4-tris[2,3-bis(2-fluorooxyethoxy)propoxy]butan-2-yloxy]propan-2-yl]oxyethyl hypofluorite?

2-[1-(2-fluorooxyethoxy)-3-[1,3,4-tris[2,3-bis(2-fluorooxyethoxy)propoxy]butan-2-yloxy]propan-2-yl]oxyethyl hypofluorite has a molecular weight of 914.78 g/mol, XLogP of 2.61, 51 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-(2-fluorooxyethoxy)-3-[1,3,4-tris[2,3-bis(2-fluorooxyethoxy)propoxy]butan-2-yloxy]propan-2-yl]oxyethyl hypofluorite is sourced from PubChem (CID 153290233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).