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

C25H44F8O20 — CID 135274587

IUPAC[1-[2,2-bis[2,3-bis(2-fluorooxyethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite
SMILESFOCCOCC(COCC(COCC(COCCOF)OCCOF)(COCC(COOF)OOF)COCC(COOF)OOF)OCCOF
InChIInChI=1S/C25H44F8O20/c26-42-5-1-34-9-21(40-3-7-44-28)11-36-17-25(19-38-13-23(48-52-32)15-46-50-30,20-39-14-24(49-53-33)16-47-51-31)18-37-12-22(41-4-8-45-29)10-35-2-6-43-27/h21-24H,1-20H2
InChIKeyVUQNGLXVLRYRTE-UHFFFAOYSA-N
MW816.59 g/mol
LogP2.52
Rot. Bonds44

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

[1-[2,2-bis[2,3-bis(2-fluorooxyethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite (PubChem CID 135274587) has the molecular formula C25H44F8O20 and a molecular weight of 816.59 g/mol. Its IUPAC name is [1-[2,2-bis[2,3-bis(2-fluorooxyethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite.

Molecular Properties

Compound Name[1-[2,2-bis[2,3-bis(2-fluorooxyethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite
PubChem CID135274587
Molecular FormulaC25H44F8O20
Molecular Weight816.59 g/mol
Exact Mass816.23
IUPAC Name[1-[2,2-bis[2,3-bis(2-fluorooxyethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite
SMILESFOCCOCC(COCC(COCC(COCCOF)OCCOF)(COCC(COOF)OOF)COCC(COOF)OOF)OCCOF
InChIInChI=1S/C25H44F8O20/c26-42-5-1-34-9-21(40-3-7-44-28)11-36-17-25(19-38-13-23(48-52-32)15-46-50-30,20-39-14-24(49-53-33)16-47-51-31)18-37-12-22(41-4-8-45-29)10-35-2-6-43-27/h21-24H,1-20H2
InChIKeyVUQNGLXVLRYRTE-UHFFFAOYSA-N
XLogP2.52
TPSA184.60 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds44
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500816.59
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1020

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-[2,2-bis[2,3-bis(2-fluorooxyethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite?
The IUPAC name of [1-[2,2-bis[2,3-bis(2-fluorooxyethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite (CID 135274587) is [1-[2,2-bis[2,3-bis(2-fluorooxyethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite.
What is the SMILES notation for [1-[2,2-bis[2,3-bis(2-fluorooxyethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite?
The canonical SMILES for [1-[2,2-bis[2,3-bis(2-fluorooxyethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite is FOCCOCC(COCC(COCC(COCCOF)OCCOF)(COCC(COOF)OOF)COCC(COOF)OOF)OCCOF.
What is the InChIKey of [1-[2,2-bis[2,3-bis(2-fluorooxyethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite?
The InChIKey is VUQNGLXVLRYRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44F8O20/c26-42-5-1-34-9-21(40-3-7-44-28)11-36-17-25(19-38-13-23(48-52-32)15-46-50-30,20-39-14-24(49-53-33)16-47-51-31)18-37-12-22(41-4-8-45-29)10-35-2-6-43-27/h21-24H,1-20H2.
What are the key properties of [1-[2,2-bis[2,3-bis(2-fluorooxyethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite?
[1-[2,2-bis[2,3-bis(2-fluorooxyethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite has a molecular weight of 816.59 g/mol, XLogP of 2.52, 44 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,2-bis[2,3-bis(2-fluorooxyethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite is sourced from PubChem (CID 135274587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).