bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)gallanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

C12F27GaO9S3 — CID 16688281

About bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)gallanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate

bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)gallanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (PubChem CID 16688281) has the molecular formula C12F27GaO9S3 and a molecular weight of 966.99 g/mol. Its IUPAC name is bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)gallanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.

Molecular Properties

• Compound Name: bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)gallanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
• PubChem CID: 16688281
• Molecular Formula: C12F27GaO9S3
• Molecular Weight: 966.99 g/mol
• Exact Mass: 965.75
• IUPAC Name: bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)gallanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate
• SMILES: O=S(=O)(O[Ga](OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/3C4HF9O3S.Ga/c3*5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h3*(H,14,15,16);/q;;;+3/p-3
• InChIKey: XFULPIJRMIJKFF-UHFFFAOYSA-K
• XLogP: 6.29
• TPSA: 130.11 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 15
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	966.99
LogP ≤ 5	6.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)gallanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?

The IUPAC name of bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)gallanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate (CID 16688281) is bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)gallanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate.

What is the SMILES notation for bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)gallanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?

The canonical SMILES for bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)gallanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is O=S(=O)(O[Ga](OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)gallanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?

The InChIKey is XFULPIJRMIJKFF-UHFFFAOYSA-K. The full InChI is InChI=1S/3C4HF9O3S.Ga/c3*5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;/h3*(H,14,15,16);/q;;;+3/p-3.

What are the key properties of bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)gallanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate?

bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)gallanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate has a molecular weight of 966.99 g/mol, XLogP of 6.29, 15 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for bis(1,1,2,2,3,3,4,4,4-nonafluorobutylsulfonyloxy)gallanyl 1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate is sourced from PubChem (CID 16688281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).