1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane

C8Br2F16O2 — CID 14150202

About 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane

1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane (PubChem CID 14150202) has the molecular formula C8Br2F16O2 and a molecular weight of 591.86 g/mol. Its IUPAC name is 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane.

Molecular Properties

• Compound Name: 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane
• PubChem CID: 14150202
• Molecular Formula: C8Br2F16O2
• Molecular Weight: 591.86 g/mol
• Exact Mass: 589.80
• IUPAC Name: 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane
• SMILES: FC(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(Br)C(F)(F)Br
• InChI: InChI=1S/C8Br2F16O2/c9-3(14,15)4(10,16)28-8(25,26)2(13,6(20,21)22)27-7(23,24)1(11,12)5(17,18)19
• InChIKey: HMHOHHNZGMYVFY-UHFFFAOYSA-N
• XLogP: 6.64
• TPSA: 18.46 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	591.86
LogP ≤ 5	6.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane?

The IUPAC name of 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane (CID 14150202) is 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane.

What is the SMILES notation for 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane?

The canonical SMILES for 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane is FC(F)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)(Br)C(F)(F)Br.

What is the InChIKey of 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane?

The InChIKey is HMHOHHNZGMYVFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8Br2F16O2/c9-3(14,15)4(10,16)28-8(25,26)2(13,6(20,21)22)27-7(23,24)1(11,12)5(17,18)19.

What are the key properties of 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane?

1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane has a molecular weight of 591.86 g/mol, XLogP of 6.64, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,2-dibromo-1,2,2-trifluoroethoxy)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propane is sourced from PubChem (CID 14150202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).