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

C26H46F8O21 — CID 135274822

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

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

[1-[1-[2,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propoxy]-3-[2,3-bis(fluoroperoxy)propoxy]propan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite (PubChem CID 135274822) has the molecular formula C26H46F8O21 and a molecular weight of 846.62 g/mol. Its IUPAC name is [1-[1-[2,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propoxy]-3-[2,3-bis(fluoroperoxy)propoxy]propan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite.

Molecular Properties

Compound Name[1-[1-[2,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propoxy]-3-[2,3-bis(fluoroperoxy)propoxy]propan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite
PubChem CID135274822
Molecular FormulaC26H46F8O21
Molecular Weight846.62 g/mol
Exact Mass846.24
IUPAC Name[1-[1-[2,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propoxy]-3-[2,3-bis(fluoroperoxy)propoxy]propan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite
SMILESFOCCOCC(COCC(COCC(COCC(COOF)OOF)OCC(COOF)OOF)OCC(COCCOF)OCCOF)OCCOF
InChIInChI=1S/C26H46F8O21/c27-44-5-1-35-9-21(40-3-7-46-29)11-37-12-22(42-17-24(41-4-8-47-30)10-36-2-6-45-28)13-38-14-23(43-18-26(51-55-34)20-49-53-32)15-39-16-25(50-54-33)19-48-52-31/h21-26H,1-20H2
InChIKeyCYHBUURYEPDUHN-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 [1-[1-[2,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propoxy]-3-[2,3-bis(fluoroperoxy)propoxy]propan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite?
The IUPAC name of [1-[1-[2,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propoxy]-3-[2,3-bis(fluoroperoxy)propoxy]propan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite (CID 135274822) is [1-[1-[2,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propoxy]-3-[2,3-bis(fluoroperoxy)propoxy]propan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite.
What is the SMILES notation for [1-[1-[2,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propoxy]-3-[2,3-bis(fluoroperoxy)propoxy]propan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite?
The canonical SMILES for [1-[1-[2,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propoxy]-3-[2,3-bis(fluoroperoxy)propoxy]propan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite is FOCCOCC(COCC(COCC(COCC(COOF)OOF)OCC(COOF)OOF)OCC(COCCOF)OCCOF)OCCOF.
What is the InChIKey of [1-[1-[2,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propoxy]-3-[2,3-bis(fluoroperoxy)propoxy]propan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite?
The InChIKey is CYHBUURYEPDUHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H46F8O21/c27-44-5-1-35-9-21(40-3-7-46-29)11-37-12-22(42-17-24(41-4-8-47-30)10-36-2-6-45-28)13-38-14-23(43-18-26(51-55-34)20-49-53-32)15-39-16-25(50-54-33)19-48-52-31/h21-26H,1-20H2.
What are the key properties of [1-[1-[2,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propoxy]-3-[2,3-bis(fluoroperoxy)propoxy]propan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite?
[1-[1-[2,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propoxy]-3-[2,3-bis(fluoroperoxy)propoxy]propan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy 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 [1-[1-[2,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propoxy]-3-[2,3-bis(fluoroperoxy)propoxy]propan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite is sourced from PubChem (CID 135274822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).