1,1,2,2,3,3-hexafluoro-1-iodo-3-(1,1,3,3-tetrafluoro-3-iodopropoxy)propane

C6H2F10I2O — CID 175702758

About 1,1,2,2,3,3-hexafluoro-1-iodo-3-(1,1,3,3-tetrafluoro-3-iodopropoxy)propane

1,1,2,2,3,3-hexafluoro-1-iodo-3-(1,1,3,3-tetrafluoro-3-iodopropoxy)propane (PubChem CID 175702758) has the molecular formula C6H2F10I2O and a molecular weight of 533.87 g/mol. Its IUPAC name is 1,1,2,2,3,3-hexafluoro-1-iodo-3-(1,1,3,3-tetrafluoro-3-iodopropoxy)propane.

Molecular Properties

• Compound Name: 1,1,2,2,3,3-hexafluoro-1-iodo-3-(1,1,3,3-tetrafluoro-3-iodopropoxy)propane
• PubChem CID: 175702758
• Molecular Formula: C6H2F10I2O
• Molecular Weight: 533.87 g/mol
• Exact Mass: 533.80
• IUPAC Name: 1,1,2,2,3,3-hexafluoro-1-iodo-3-(1,1,3,3-tetrafluoro-3-iodopropoxy)propane
• SMILES: FC(F)(I)CC(F)(F)OC(F)(F)C(F)(F)C(F)(F)I
• InChI: InChI=1S/C6H2F10I2O/c7-2(8,17)1-3(9,10)19-6(15,16)4(11,12)5(13,14)18/h1H2
• InChIKey: ITNIXNGHDJPJHQ-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 9.23 Ų
• H-Bond Acceptors: 1
• Rotatable Bonds: 6
• Heavy Atoms: 19
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.87
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	1

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,2,2,3,3-hexafluoro-1-iodo-3-(1,1,3,3-tetrafluoro-3-iodopropoxy)propane?

The IUPAC name of 1,1,2,2,3,3-hexafluoro-1-iodo-3-(1,1,3,3-tetrafluoro-3-iodopropoxy)propane (CID 175702758) is 1,1,2,2,3,3-hexafluoro-1-iodo-3-(1,1,3,3-tetrafluoro-3-iodopropoxy)propane.

What is the SMILES notation for 1,1,2,2,3,3-hexafluoro-1-iodo-3-(1,1,3,3-tetrafluoro-3-iodopropoxy)propane?

The canonical SMILES for 1,1,2,2,3,3-hexafluoro-1-iodo-3-(1,1,3,3-tetrafluoro-3-iodopropoxy)propane is FC(F)(I)CC(F)(F)OC(F)(F)C(F)(F)C(F)(F)I.

What is the InChIKey of 1,1,2,2,3,3-hexafluoro-1-iodo-3-(1,1,3,3-tetrafluoro-3-iodopropoxy)propane?

The InChIKey is ITNIXNGHDJPJHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F10I2O/c7-2(8,17)1-3(9,10)19-6(15,16)4(11,12)5(13,14)18/h1H2.

What are the key properties of 1,1,2,2,3,3-hexafluoro-1-iodo-3-(1,1,3,3-tetrafluoro-3-iodopropoxy)propane?

1,1,2,2,3,3-hexafluoro-1-iodo-3-(1,1,3,3-tetrafluoro-3-iodopropoxy)propane has a molecular weight of 533.87 g/mol, XLogP of 5.27, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,2,3,3-hexafluoro-1-iodo-3-(1,1,3,3-tetrafluoro-3-iodopropoxy)propane is sourced from PubChem (CID 175702758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).