[1-[3,4-bis[2,3-bis(2-fluorooxyethoxy)propoxy]-1-[2,3-bis(fluoroperoxy)propoxy]butan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite

C24H42F8O20 — CID 135274590

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

About [1-[3,4-bis[2,3-bis(2-fluorooxyethoxy)propoxy]-1-[2,3-bis(fluoroperoxy)propoxy]butan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite

[1-[3,4-bis[2,3-bis(2-fluorooxyethoxy)propoxy]-1-[2,3-bis(fluoroperoxy)propoxy]butan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite (PubChem CID 135274590) has the molecular formula C24H42F8O20 and a molecular weight of 802.56 g/mol. Its IUPAC name is [1-[3,4-bis[2,3-bis(2-fluorooxyethoxy)propoxy]-1-[2,3-bis(fluoroperoxy)propoxy]butan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite.

Molecular Properties

Compound Name[1-[3,4-bis[2,3-bis(2-fluorooxyethoxy)propoxy]-1-[2,3-bis(fluoroperoxy)propoxy]butan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite
PubChem CID135274590
Molecular FormulaC24H42F8O20
Molecular Weight802.56 g/mol
Exact Mass802.21
IUPAC Name[1-[3,4-bis[2,3-bis(2-fluorooxyethoxy)propoxy]-1-[2,3-bis(fluoroperoxy)propoxy]butan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite
SMILESFOCCOCC(COCC(OCC(COCCOF)OCCOF)C(COCC(COOF)OOF)OCC(COOF)OOF)OCCOF
InChIInChI=1S/C24H42F8O20/c25-41-5-1-33-9-19(37-3-7-43-27)11-35-17-23(39-13-20(38-4-8-44-28)10-34-2-6-42-26)24(40-14-22(48-52-32)16-46-50-30)18-36-12-21(47-51-31)15-45-49-29/h19-24H,1-18H2
InChIKeyQJCVUUXVYTYGND-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 [1-[3,4-bis[2,3-bis(2-fluorooxyethoxy)propoxy]-1-[2,3-bis(fluoroperoxy)propoxy]butan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1-[3,4-bis[2,3-bis(2-fluorooxyethoxy)propoxy]-1-[2,3-bis(fluoroperoxy)propoxy]butan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite?
The IUPAC name of [1-[3,4-bis[2,3-bis(2-fluorooxyethoxy)propoxy]-1-[2,3-bis(fluoroperoxy)propoxy]butan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite (CID 135274590) is [1-[3,4-bis[2,3-bis(2-fluorooxyethoxy)propoxy]-1-[2,3-bis(fluoroperoxy)propoxy]butan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite.
What is the SMILES notation for [1-[3,4-bis[2,3-bis(2-fluorooxyethoxy)propoxy]-1-[2,3-bis(fluoroperoxy)propoxy]butan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite?
The canonical SMILES for [1-[3,4-bis[2,3-bis(2-fluorooxyethoxy)propoxy]-1-[2,3-bis(fluoroperoxy)propoxy]butan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite is FOCCOCC(COCC(OCC(COCCOF)OCCOF)C(COCC(COOF)OOF)OCC(COOF)OOF)OCCOF.
What is the InChIKey of [1-[3,4-bis[2,3-bis(2-fluorooxyethoxy)propoxy]-1-[2,3-bis(fluoroperoxy)propoxy]butan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite?
The InChIKey is QJCVUUXVYTYGND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42F8O20/c25-41-5-1-33-9-19(37-3-7-43-27)11-35-17-23(39-13-20(38-4-8-44-28)10-34-2-6-42-26)24(40-14-22(48-52-32)16-46-50-30)18-36-12-21(47-51-31)15-45-49-29/h19-24H,1-18H2.
What are the key properties of [1-[3,4-bis[2,3-bis(2-fluorooxyethoxy)propoxy]-1-[2,3-bis(fluoroperoxy)propoxy]butan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite?
[1-[3,4-bis[2,3-bis(2-fluorooxyethoxy)propoxy]-1-[2,3-bis(fluoroperoxy)propoxy]butan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy 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 [1-[3,4-bis[2,3-bis(2-fluorooxyethoxy)propoxy]-1-[2,3-bis(fluoroperoxy)propoxy]butan-2-yl]oxy-3-fluoroperoxypropan-2-yl]oxy hypofluorite is sourced from PubChem (CID 135274590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).