[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

C24H42F8O16 — CID 153290145

IUPAC[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
SMILESFCOCC(COCF)OCC(OC(COCF)COCF)C(COC(COCCOF)COOF)OC(COCCOF)COOF
InChIInChI=1S/C24H42F8O16/c25-15-35-6-19(7-36-16-26)39-13-23(45-21(9-37-17-27)10-38-18-28)24(46-22(12-44-48-32)8-34-2-4-42-30)14-40-20(11-43-47-31)5-33-1-3-41-29/h19-24H,1-18H2
InChIKeyBQAFBHQJRKIZMW-UHFFFAOYSA-N
MW738.57 g/mol
LogP2.54
Rot. Bonds39

About [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

[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 (PubChem CID 153290145) has the molecular formula C24H42F8O16 and a molecular weight of 738.57 g/mol. Its IUPAC name is [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.

Molecular Properties

Compound Name[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
PubChem CID153290145
Molecular FormulaC24H42F8O16
Molecular Weight738.57 g/mol
Exact Mass738.23
IUPAC Name[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
SMILESFCOCC(COCF)OCC(OC(COCF)COCF)C(COC(COCCOF)COOF)OC(COCCOF)COOF
InChIInChI=1S/C24H42F8O16/c25-15-35-6-19(7-36-16-26)39-13-23(45-21(9-37-17-27)10-38-18-28)24(46-22(12-44-48-32)8-34-2-4-42-30)14-40-20(11-43-47-31)5-33-1-3-41-29/h19-24H,1-18H2
InChIKeyBQAFBHQJRKIZMW-UHFFFAOYSA-N
XLogP2.54
TPSA147.68 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds39
Heavy Atoms48
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500738.57
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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(fluoromethoxy)propan-2-yloxy]-1-[1-(2-fluorooxyethoxy)-3-fluoroperoxypropan-2-yl]oxybutan-2-yl]oxy-3-(2-fluorooxyethoxy)propoxy] hypofluorite with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
[1-[2,2-Bis[2,3-bis(fluoromethoxy)propoxymethyl]-3-[2,3-bis(fluoroperoxy)propoxy]propoxy]-3-fluoroperoxypropan-2-yl]oxy hypofluorite
CID 153290153
[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

Frequently Asked Questions

What is the IUPAC name of [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?
The IUPAC name of [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) is [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.
What is the SMILES notation for [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?
The canonical SMILES for [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 is FCOCC(COCF)OCC(OC(COCF)COCF)C(COC(COCCOF)COOF)OC(COCCOF)COOF.
What is the InChIKey of [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?
The InChIKey is BQAFBHQJRKIZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H42F8O16/c25-15-35-6-19(7-36-16-26)39-13-23(45-21(9-37-17-27)10-38-18-28)24(46-22(12-44-48-32)8-34-2-4-42-30)14-40-20(11-43-47-31)5-33-1-3-41-29/h19-24H,1-18H2.
What are the key properties of [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?
[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 has a molecular weight of 738.57 g/mol, XLogP of 2.54, 39 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [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 is sourced from PubChem (CID 153290145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).