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

C26H46F8O21 — CID 135274595

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

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

[2-[1-[2,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite (PubChem CID 135274595) has the molecular formula C26H46F8O21 and a molecular weight of 846.62 g/mol. Its IUPAC name is [2-[1-[2,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite.

Molecular Properties

Compound Name[2-[1-[2,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite
PubChem CID135274595
Molecular FormulaC26H46F8O21
Molecular Weight846.62 g/mol
Exact Mass846.24
IUPAC Name[2-[1-[2,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite
SMILESFOCCOCC(COCCOF)OCC(COCC(COC(COOF)COOF)OC(COOF)COOF)OC(COCCOF)COCCOF
InChIInChI=1S/C26H46F8O21/c27-42-5-1-35-9-21(10-36-2-6-43-28)40-15-24(50-23(11-37-3-7-44-29)12-38-4-8-45-30)13-39-14-25(51-26(19-48-54-33)20-49-55-34)16-41-22(17-46-52-31)18-47-53-32/h21-26H,1-20H2
InChIKeyMPHPYNVWCDYBIG-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'}

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Frequently Asked Questions

What is the IUPAC name of [2-[1-[2,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite?
The IUPAC name of [2-[1-[2,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite (CID 135274595) is [2-[1-[2,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite.
What is the SMILES notation for [2-[1-[2,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite?
The canonical SMILES for [2-[1-[2,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite is FOCCOCC(COCCOF)OCC(COCC(COC(COOF)COOF)OC(COOF)COOF)OC(COCCOF)COCCOF.
What is the InChIKey of [2-[1-[2,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite?
The InChIKey is MPHPYNVWCDYBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46F8O21/c27-42-5-1-35-9-21(10-36-2-6-43-28)40-15-24(50-23(11-37-3-7-44-29)12-38-4-8-45-30)13-39-14-25(51-26(19-48-54-33)20-49-55-34)16-41-22(17-46-52-31)18-47-53-32/h21-26H,1-20H2.
What are the key properties of [2-[1-[2,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite?
[2-[1-[2,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propan-2-yl]oxy-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-[1-[2,3-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite is sourced from PubChem (CID 135274595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).