[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propoxy]-3-fluoroperoxypropoxy] hypofluorite

C26H46F8O21 — CID 135274633

IUPAC[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propoxy]-3-fluoroperoxypropoxy] hypofluorite
SMILESFOCCOCC(COCCOF)OCC(COC(COCCOF)COCCOF)OC(COC(COOF)COOF)COC(COOF)COOF
InChIInChI=1S/C26H46F8O21/c27-43-5-1-35-9-21(10-36-2-6-44-28)39-13-25(14-40-22(11-37-3-7-45-29)12-38-4-8-46-30)51-26(15-41-23(17-47-52-31)18-48-53-32)16-42-24(19-49-54-33)20-50-55-34/h21-26H,1-20H2
InChIKeyYGHCSXCGQORETM-UHFFFAOYSA-N
MW846.62 g/mol
LogP2.28
Rot. Bonds46

About [2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propoxy]-3-fluoroperoxypropoxy] hypofluorite

[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propoxy]-3-fluoroperoxypropoxy] hypofluorite (PubChem CID 135274633) has the molecular formula C26H46F8O21 and a molecular weight of 846.62 g/mol. Its IUPAC name is [2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propoxy]-3-fluoroperoxypropoxy] hypofluorite.

Molecular Properties

Compound Name[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propoxy]-3-fluoroperoxypropoxy] hypofluorite
PubChem CID135274633
Molecular FormulaC26H46F8O21
Molecular Weight846.62 g/mol
Exact Mass846.24
IUPAC Name[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propoxy]-3-fluoroperoxypropoxy] hypofluorite
SMILESFOCCOCC(COCCOF)OCC(COC(COCCOF)COCCOF)OC(COC(COOF)COOF)COC(COOF)COOF
InChIInChI=1S/C26H46F8O21/c27-43-5-1-35-9-21(10-36-2-6-44-28)39-13-25(14-40-22(11-37-3-7-45-29)12-38-4-8-46-30)51-26(15-41-23(17-47-52-31)18-48-53-32)16-42-24(19-49-54-33)20-50-55-34/h21-26H,1-20H2
InChIKeyYGHCSXCGQORETM-UHFFFAOYSA-N
XLogP2.28
TPSA193.83 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds46
Heavy Atoms55
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500846.62
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze [2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propoxy]-3-fluoroperoxypropoxy] hypofluorite with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propoxy]-3-fluoroperoxypropoxy] hypofluorite?
The IUPAC name of [2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propoxy]-3-fluoroperoxypropoxy] hypofluorite (CID 135274633) is [2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propoxy]-3-fluoroperoxypropoxy] hypofluorite.
What is the SMILES notation for [2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propoxy]-3-fluoroperoxypropoxy] hypofluorite?
The canonical SMILES for [2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propoxy]-3-fluoroperoxypropoxy] hypofluorite is FOCCOCC(COCCOF)OCC(COC(COCCOF)COCCOF)OC(COC(COOF)COOF)COC(COOF)COOF.
What is the InChIKey of [2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propoxy]-3-fluoroperoxypropoxy] hypofluorite?
The InChIKey is YGHCSXCGQORETM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46F8O21/c27-43-5-1-35-9-21(10-36-2-6-44-28)39-13-25(14-40-22(11-37-3-7-45-29)12-38-4-8-46-30)51-26(15-41-23(17-47-52-31)18-48-53-32)16-42-24(19-49-54-33)20-50-55-34/h21-26H,1-20H2.
What are the key properties of [2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propoxy]-3-fluoroperoxypropoxy] hypofluorite?
[2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propoxy]-3-fluoroperoxypropoxy] hypofluorite has a molecular weight of 846.62 g/mol, XLogP of 2.28, 46 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-[1,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propoxy]-3-fluoroperoxypropoxy] hypofluorite is sourced from PubChem (CID 135274633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).