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

C29H52F8O16 — CID 135274588

About 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

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 (PubChem CID 135274588) has the molecular formula C29H52F8O16 and a molecular weight of 808.70 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 135274588
• Molecular Formula: C29H52F8O16
• Molecular Weight: 808.70 g/mol
• Exact Mass: 808.31
• IUPAC Name: 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
• SMILES: FCOCC(COCF)OCC(COC(COCF)COCF)(COC(COCCOF)COCCOF)COC(COCCOF)COCCOF
• InChI: InChI=1S/C29H52F8O16/c30-21-42-13-27(14-43-22-31)48-19-29(20-49-28(15-44-23-32)16-45-24-33,17-46-25(9-38-1-5-50-34)10-39-2-6-51-35)18-47-26(11-40-3-7-52-36)12-41-4-8-53-37/h25-28H,1-24H2
• InChIKey: HVBUYADEFPKWGZ-UHFFFAOYSA-N
• XLogP: 2.96
• TPSA: 147.68 Ų
• H-Bond Acceptors: 16
• Rotatable Bonds: 44
• Heavy Atoms: 53
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	808.70
LogP ≤ 5	2.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is FCOCC(COCF)OCC(COC(COCF)COCF)(COC(COCCOF)COCCOF)COC(COCCOF)COCCOF.

What is the InChIKey of 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?

The InChIKey is HVBUYADEFPKWGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H52F8O16/c30-21-42-13-27(14-43-22-31)48-19-29(20-49-28(15-44-23-32)16-45-24-33,17-46-25(9-38-1-5-50-34)10-39-2-6-51-35)18-47-26(11-40-3-7-52-36)12-41-4-8-53-37/h25-28H,1-24H2.

What are the key properties of 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?

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 has a molecular weight of 808.70 g/mol, XLogP of 2.96, 44 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 135274588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).