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

C21H36F8O16 — CID 153290153

IUPAC[1-[2,2-bis[2,3-bis(fluoromethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite
SMILESFCOCC(COCC(COCC(COCF)OCF)(COCC(COOF)OOF)COCC(COOF)OOF)OCF
InChIInChI=1S/C21H36F8O16/c22-13-34-3-17(36-15-24)1-30-9-21(10-31-2-18(37-16-25)4-35-14-23,11-32-5-19(40-44-28)7-38-42-26)12-33-6-20(41-45-29)8-39-43-27/h17-20H,1-16H2
InChIKeyQIYBJUMGZVHZOR-UHFFFAOYSA-N
MW696.49 g/mol
LogP2.62
Rot. Bonds36

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

[1-[2,2-bis[2,3-bis(fluoromethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite (PubChem CID 153290153) has the molecular formula C21H36F8O16 and a molecular weight of 696.49 g/mol. Its IUPAC name is [1-[2,2-bis[2,3-bis(fluoromethoxy)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(fluoromethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite
PubChem CID153290153
Molecular FormulaC21H36F8O16
Molecular Weight696.49 g/mol
Exact Mass696.19
IUPAC Name[1-[2,2-bis[2,3-bis(fluoromethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite
SMILESFCOCC(COCC(COCC(COCF)OCF)(COCC(COOF)OOF)COCC(COOF)OOF)OCF
InChIInChI=1S/C21H36F8O16/c22-13-34-3-17(36-15-24)1-30-9-21(10-31-2-18(37-16-25)4-35-14-23,11-32-5-19(40-44-28)7-38-42-26)12-33-6-20(41-45-29)8-39-43-27/h17-20H,1-16H2
InChIKeyQIYBJUMGZVHZOR-UHFFFAOYSA-N
XLogP2.62
TPSA147.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds36
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500696.49
LogP ≤ 52.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'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(fluoromethoxy)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(fluoromethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite (CID 153290153) is [1-[2,2-bis[2,3-bis(fluoromethoxy)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(fluoromethoxy)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(fluoromethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite is FCOCC(COCC(COCC(COCF)OCF)(COCC(COOF)OOF)COCC(COOF)OOF)OCF.
What is the InChIKey of [1-[2,2-bis[2,3-bis(fluoromethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite?
The InChIKey is QIYBJUMGZVHZOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H36F8O16/c22-13-34-3-17(36-15-24)1-30-9-21(10-31-2-18(37-16-25)4-35-14-23,11-32-5-19(40-44-28)7-38-42-26)12-33-6-20(41-45-29)8-39-43-27/h17-20H,1-16H2.
What are the key properties of [1-[2,2-bis[2,3-bis(fluoromethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite?
[1-[2,2-bis[2,3-bis(fluoromethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite has a molecular weight of 696.49 g/mol, XLogP of 2.62, 36 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2,2-bis[2,3-bis(fluoromethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite is sourced from PubChem (CID 153290153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).