[2-[3,4-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]-1-[1,3-bis(fluoroperoxy)propan-2-yloxy]butan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite

C24H42F8O20 — CID 135274589

IUPAC[2-[3,4-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]-1-[1,3-bis(fluoroperoxy)propan-2-yloxy]butan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite
SMILESFOCCOCC(COCCOF)OCC(OC(COCCOF)COCCOF)C(COC(COOF)COOF)OC(COOF)COOF
InChIInChI=1S/C24H42F8O20/c25-39-5-1-33-9-19(10-34-2-6-40-26)37-17-23(47-21(11-35-3-7-41-27)12-36-4-8-42-28)24(48-22(15-45-51-31)16-46-52-32)18-38-20(13-43-49-29)14-44-50-30/h19-24H,1-18H2
InChIKeyPACBGYVXMNUATA-UHFFFAOYSA-N
MW802.56 g/mol
LogP2.27
Rot. Bonds43

About [2-[3,4-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]-1-[1,3-bis(fluoroperoxy)propan-2-yloxy]butan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite

[2-[3,4-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]-1-[1,3-bis(fluoroperoxy)propan-2-yloxy]butan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite (PubChem CID 135274589) has the molecular formula C24H42F8O20 and a molecular weight of 802.56 g/mol. Its IUPAC name is [2-[3,4-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]-1-[1,3-bis(fluoroperoxy)propan-2-yloxy]butan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite.

Molecular Properties

Compound Name[2-[3,4-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]-1-[1,3-bis(fluoroperoxy)propan-2-yloxy]butan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite
PubChem CID135274589
Molecular FormulaC24H42F8O20
Molecular Weight802.56 g/mol
Exact Mass802.21
IUPAC Name[2-[3,4-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]-1-[1,3-bis(fluoroperoxy)propan-2-yloxy]butan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite
SMILESFOCCOCC(COCCOF)OCC(OC(COCCOF)COCCOF)C(COC(COOF)COOF)OC(COOF)COOF
InChIInChI=1S/C24H42F8O20/c25-39-5-1-33-9-19(10-34-2-6-40-26)37-17-23(47-21(11-35-3-7-41-27)12-36-4-8-42-28)24(48-22(15-45-51-31)16-46-52-32)18-38-20(13-43-49-29)14-44-50-30/h19-24H,1-18H2
InChIKeyPACBGYVXMNUATA-UHFFFAOYSA-N
XLogP2.27
TPSA184.60 Ų
H-Bond Donors
H-Bond Acceptors20
Rotatable Bonds43
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500802.56
LogP ≤ 52.27
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'}

Analyze [2-[3,4-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]-1-[1,3-bis(fluoroperoxy)propan-2-yloxy]butan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite with MolForge

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Frequently Asked Questions

What is the IUPAC name of [2-[3,4-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]-1-[1,3-bis(fluoroperoxy)propan-2-yloxy]butan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite?
The IUPAC name of [2-[3,4-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]-1-[1,3-bis(fluoroperoxy)propan-2-yloxy]butan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite (CID 135274589) is [2-[3,4-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]-1-[1,3-bis(fluoroperoxy)propan-2-yloxy]butan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite.
What is the SMILES notation for [2-[3,4-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]-1-[1,3-bis(fluoroperoxy)propan-2-yloxy]butan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite?
The canonical SMILES for [2-[3,4-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]-1-[1,3-bis(fluoroperoxy)propan-2-yloxy]butan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite is FOCCOCC(COCCOF)OCC(OC(COCCOF)COCCOF)C(COC(COOF)COOF)OC(COOF)COOF.
What is the InChIKey of [2-[3,4-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]-1-[1,3-bis(fluoroperoxy)propan-2-yloxy]butan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite?
The InChIKey is PACBGYVXMNUATA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42F8O20/c25-39-5-1-33-9-19(10-34-2-6-40-26)37-17-23(47-21(11-35-3-7-41-27)12-36-4-8-42-28)24(48-22(15-45-51-31)16-46-52-32)18-38-20(13-43-49-29)14-44-50-30/h19-24H,1-18H2.
What are the key properties of [2-[3,4-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]-1-[1,3-bis(fluoroperoxy)propan-2-yloxy]butan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite?
[2-[3,4-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]-1-[1,3-bis(fluoroperoxy)propan-2-yloxy]butan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite has a molecular weight of 802.56 g/mol, XLogP of 2.27, 43 rotatable bonds, 0 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3,4-bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]-1-[1,3-bis(fluoroperoxy)propan-2-yloxy]butan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite is sourced from PubChem (CID 135274589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).