2-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate

C9H10F10O6S2 — CID 21102755

About 2-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate

2-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate (PubChem CID 21102755) has the molecular formula C9H10F10O6S2 and a molecular weight of 468.29 g/mol. Its IUPAC name is 2-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate.

Molecular Properties

• Compound Name: 2-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate
• PubChem CID: 21102755
• Molecular Formula: C9H10F10O6S2
• Molecular Weight: 468.29 g/mol
• Exact Mass: 467.98
• IUPAC Name: 2-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate
• SMILES: CC(COS(=O)(=O)CC(F)(F)C(F)(F)F)OS(=O)(=O)CC(F)(F)C(F)(F)F
• InChI: InChI=1S/C9H10F10O6S2/c1-5(25-27(22,23)4-7(12,13)9(17,18)19)2-24-26(20,21)3-6(10,11)8(14,15)16/h5H,2-4H2,1H3
• InChIKey: NSAITNYUMHEAKQ-UHFFFAOYSA-N
• XLogP: 2.46
• TPSA: 86.74 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.29
LogP ≤ 5	2.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate?

The IUPAC name of 2-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate (CID 21102755) is 2-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate.

What is the SMILES notation for 2-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate?

The canonical SMILES for 2-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate is CC(COS(=O)(=O)CC(F)(F)C(F)(F)F)OS(=O)(=O)CC(F)(F)C(F)(F)F.

What is the InChIKey of 2-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate?

The InChIKey is NSAITNYUMHEAKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F10O6S2/c1-5(25-27(22,23)4-7(12,13)9(17,18)19)2-24-26(20,21)3-6(10,11)8(14,15)16/h5H,2-4H2,1H3.

What are the key properties of 2-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate?

2-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate has a molecular weight of 468.29 g/mol, XLogP of 2.46, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2,2,3,3,3-pentafluoropropylsulfonyloxy)propyl 2,2,3,3,3-pentafluoropropane-1-sulfonate is sourced from PubChem (CID 21102755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).