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

C28H50F8O21 — CID 153290156

IUPAC[1-[2-[1,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propan-2-yloxy]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-(2-fluorooxyethoxy)propan-2-yl]oxy hypofluorite
SMILESFOCCOCC(COCC(COCC(COCCOF)OCCOF)OC(COCC(COCCOF)OOF)COCC(COOF)OOF)OCCOF
InChIInChI=1S/C28H50F8O21/c29-46-6-1-37-11-23(44-4-9-49-32)13-40-15-25(16-41-14-24(45-5-10-50-33)12-38-2-7-47-30)52-26(18-43-21-28(54-57-36)22-51-55-34)17-42-20-27(53-56-35)19-39-3-8-48-31/h23-28H,1-22H2
InChIKeyFPLDJTCGCFJPSQ-UHFFFAOYSA-N
MW874.67 g/mol
LogP2.37
Rot. Bonds48

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

[1-[2-[1,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propan-2-yloxy]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-(2-fluorooxyethoxy)propan-2-yl]oxy hypofluorite (PubChem CID 153290156) has the molecular formula C28H50F8O21 and a molecular weight of 874.67 g/mol. Its IUPAC name is [1-[2-[1,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propan-2-yloxy]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-(2-fluorooxyethoxy)propan-2-yl]oxy hypofluorite.

Molecular Properties

Compound Name[1-[2-[1,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propan-2-yloxy]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-(2-fluorooxyethoxy)propan-2-yl]oxy hypofluorite
PubChem CID153290156
Molecular FormulaC28H50F8O21
Molecular Weight874.67 g/mol
Exact Mass874.27
IUPAC Name[1-[2-[1,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propan-2-yloxy]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-(2-fluorooxyethoxy)propan-2-yl]oxy hypofluorite
SMILESFOCCOCC(COCC(COCC(COCCOF)OCCOF)OC(COCC(COCCOF)OOF)COCC(COOF)OOF)OCCOF
InChIInChI=1S/C28H50F8O21/c29-46-6-1-37-11-23(44-4-9-49-32)13-40-15-25(16-41-14-24(45-5-10-50-33)12-38-2-7-47-30)52-26(18-43-21-28(54-57-36)22-51-55-34)17-42-20-27(53-56-35)19-39-3-8-48-31/h23-28H,1-22H2
InChIKeyFPLDJTCGCFJPSQ-UHFFFAOYSA-N
XLogP2.37
TPSA193.83 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds48
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500874.67
LogP ≤ 52.37
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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Related Compounds

1-[3-[3-[3-[3-[2,3-Bis(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2-ethoxypropoxy]-2-(fluoromethoxy)propoxy]-2,3-diethoxypropane
CID 59364572
[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
2-[2-[2,2-Bis[1,3-bis(fluoromethoxy)propan-2-yloxymethyl]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite
CID 135274588
[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
[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
2-[2-[2-[1,3-Bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-(2-fluorooxyethoxy)propoxy]ethyl hypofluorite
CID 135274593
2-[1-[2-[1,3-Bis[2,3-bis(2-fluorooxyethoxy)propoxy]propan-2-yloxy]-3-[2,3-bis(2-fluorooxyethoxy)propoxy]propoxy]-3-(2-fluorooxyethoxy)propan-2-yl]oxyethyl hypofluorite
CID 135274594
[2-[1-[2,3-Bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propoxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propan-2-yl]oxy-3-fluoroperoxypropoxy] hypofluorite
CID 135274595
[2-[2-[1,3-Bis[1,3-bis(2-fluorooxyethoxy)propan-2-yloxy]propan-2-yloxy]-3-[1,3-bis(fluoroperoxy)propan-2-yloxy]propoxy]-3-fluoroperoxypropoxy] hypofluorite
CID 135274633
[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
[2-[3,4-Bis[1,3-bis(fluoromethoxy)propan-2-yloxy]-1-[1-(2-fluorooxyethoxy)-3-fluoroperoxypropan-2-yl]oxybutan-2-yl]oxy-3-(2-fluorooxyethoxy)propoxy] hypofluorite
CID 153290145
[1-[2,2-Bis[2,3-bis(fluoromethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite
CID 153290153

Frequently Asked Questions

What is the IUPAC name of [1-[2-[1,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propan-2-yloxy]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-(2-fluorooxyethoxy)propan-2-yl]oxy hypofluorite?
The IUPAC name of [1-[2-[1,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propan-2-yloxy]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-(2-fluorooxyethoxy)propan-2-yl]oxy hypofluorite (CID 153290156) is [1-[2-[1,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propan-2-yloxy]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-(2-fluorooxyethoxy)propan-2-yl]oxy hypofluorite.
What is the SMILES notation for [1-[2-[1,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propan-2-yloxy]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-(2-fluorooxyethoxy)propan-2-yl]oxy hypofluorite?
The canonical SMILES for [1-[2-[1,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propan-2-yloxy]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-(2-fluorooxyethoxy)propan-2-yl]oxy hypofluorite is FOCCOCC(COCC(COCC(COCCOF)OCCOF)OC(COCC(COCCOF)OOF)COCC(COOF)OOF)OCCOF.
What is the InChIKey of [1-[2-[1,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propan-2-yloxy]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-(2-fluorooxyethoxy)propan-2-yl]oxy hypofluorite?
The InChIKey is FPLDJTCGCFJPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H50F8O21/c29-46-6-1-37-11-23(44-4-9-49-32)13-40-15-25(16-41-14-24(45-5-10-50-33)12-38-2-7-47-30)52-26(18-43-21-28(54-57-36)22-51-55-34)17-42-20-27(53-56-35)19-39-3-8-48-31/h23-28H,1-22H2.
What are the key properties of [1-[2-[1,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propan-2-yloxy]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-(2-fluorooxyethoxy)propan-2-yl]oxy hypofluorite?
[1-[2-[1,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propan-2-yloxy]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-(2-fluorooxyethoxy)propan-2-yl]oxy hypofluorite has a molecular weight of 874.67 g/mol, XLogP of 2.37, 48 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[2-[1,3-bis[2,3-bis(2-fluorooxyethoxy)propoxy]propan-2-yloxy]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-(2-fluorooxyethoxy)propan-2-yl]oxy hypofluorite is sourced from PubChem (CID 153290156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).