1,1,1,2,2,3,3-heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)propylperoxy]propoxy]propane

C12H12F14O4 — CID 88898107

About 1,1,1,2,2,3,3-heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)propylperoxy]propoxy]propane

1,1,1,2,2,3,3-heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)propylperoxy]propoxy]propane (PubChem CID 88898107) has the molecular formula C12H12F14O4 and a molecular weight of 486.20 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)propylperoxy]propoxy]propane.

Molecular Properties

• Compound Name: 1,1,1,2,2,3,3-heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)propylperoxy]propoxy]propane
• PubChem CID: 88898107
• Molecular Formula: C12H12F14O4
• Molecular Weight: 486.20 g/mol
• Exact Mass: 486.05
• IUPAC Name: 1,1,1,2,2,3,3-heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)propylperoxy]propoxy]propane
• SMILES: CCC(OOC(CC)OC(F)(F)C(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C12H12F14O4/c1-3-5(27-11(23,24)7(13,14)9(17,18)19)29-30-6(4-2)28-12(25,26)8(15,16)10(20,21)22/h5-6H,3-4H2,1-2H3
• InChIKey: CURATWULRLPWSI-UHFFFAOYSA-N
• XLogP: 6.02
• TPSA: 36.92 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 11
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	486.20
LogP ≤ 5	6.02
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'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 1,1,1,2,2,3,3-heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)propylperoxy]propoxy]propane?

The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)propylperoxy]propoxy]propane (CID 88898107) is 1,1,1,2,2,3,3-heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)propylperoxy]propoxy]propane.

What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)propylperoxy]propoxy]propane?

The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)propylperoxy]propoxy]propane is CCC(OOC(CC)OC(F)(F)C(F)(F)C(F)(F)F)OC(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)propylperoxy]propoxy]propane?

The InChIKey is CURATWULRLPWSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F14O4/c1-3-5(27-11(23,24)7(13,14)9(17,18)19)29-30-6(4-2)28-12(25,26)8(15,16)10(20,21)22/h5-6H,3-4H2,1-2H3.

What are the key properties of 1,1,1,2,2,3,3-heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)propylperoxy]propoxy]propane?

1,1,1,2,2,3,3-heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)propylperoxy]propoxy]propane has a molecular weight of 486.20 g/mol, XLogP of 6.02, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,2,2,3,3-heptafluoro-3-[1-[1-(1,1,2,2,3,3,3-heptafluoropropoxy)propylperoxy]propoxy]propane is sourced from PubChem (CID 88898107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).