1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane

C11F22I2 — CID 89413596

About 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane (PubChem CID 89413596) has the molecular formula C11F22I2 and a molecular weight of 803.88 g/mol. Its IUPAC name is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane.

Molecular Properties

• Compound Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane
• PubChem CID: 89413596
• Molecular Formula: C11F22I2
• Molecular Weight: 803.88 g/mol
• Exact Mass: 803.77
• IUPAC Name: 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane
• SMILES: FC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
• InChI: InChI=1S/C11F22I2/c12-1(13,2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)34)3(16,17)5(20,21)7(24,25)9(28,29)11(32,33)35
• InChIKey: JLUHHYOWLLMLBT-UHFFFAOYSA-N
• XLogP: 8.76
• TPSA: 0.00 Ų
• Rotatable Bonds: 10
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	803.88
LogP ≤ 5	8.76
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	0

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 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane?

The IUPAC name of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane (CID 89413596) is 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane.

What is the SMILES notation for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane?

The canonical SMILES for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane is FC(F)(I)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I.

What is the InChIKey of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane?

The InChIKey is JLUHHYOWLLMLBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11F22I2/c12-1(13,2(14,15)4(18,19)6(22,23)8(26,27)10(30,31)34)3(16,17)5(20,21)7(24,25)9(28,29)11(32,33)35.

What are the key properties of 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane?

1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane has a molecular weight of 803.88 g/mol, XLogP of 8.76, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,11,11-docosafluoro-1,11-diiodoundecane is sourced from PubChem (CID 89413596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).