[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetyl] 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethaneperoxoate

C12F22O8 — CID 156700386

About [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetyl] 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethaneperoxoate

[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetyl] 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethaneperoxoate (PubChem CID 156700386) has the molecular formula C12F22O8 and a molecular weight of 690.08 g/mol. Its IUPAC name is [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetyl] 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethaneperoxoate.

Molecular Properties

• Compound Name: [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetyl] 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethaneperoxoate
• PubChem CID: 156700386
• Molecular Formula: C12F22O8
• Molecular Weight: 690.08 g/mol
• Exact Mass: 689.92
• IUPAC Name: [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetyl] 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethaneperoxoate
• SMILES: O=C(OOC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F
• InChI: InChI=1S/C12F22O8/c13-3(14,39-9(27,28)11(31,32)41-7(23,24)5(17,18)19)1(35)37-38-2(36)4(15,16)40-10(29,30)12(33,34)42-8(25,26)6(20,21)22
• InChIKey: HPAORGWFWZAXAY-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 89.52 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	690.08
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetyl] 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethaneperoxoate?

The IUPAC name of [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetyl] 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethaneperoxoate (CID 156700386) is [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetyl] 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethaneperoxoate.

What is the SMILES notation for [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetyl] 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethaneperoxoate?

The canonical SMILES for [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetyl] 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethaneperoxoate is O=C(OOC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)F.

What is the InChIKey of [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetyl] 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethaneperoxoate?

The InChIKey is HPAORGWFWZAXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12F22O8/c13-3(14,39-9(27,28)11(31,32)41-7(23,24)5(17,18)19)1(35)37-38-2(36)4(15,16)40-10(29,30)12(33,34)42-8(25,26)6(20,21)22.

What are the key properties of [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetyl] 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethaneperoxoate?

[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetyl] 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethaneperoxoate has a molecular weight of 690.08 g/mol, XLogP of 5.92, 12 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]acetyl] 2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,2-pentafluoroethoxy)ethoxy]ethaneperoxoate is sourced from PubChem (CID 156700386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).