1,1,1,2,2,3,3-heptafluoro-3-[2-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)ethoxy]ethylsulfonyl]propane

C10H8F14O5S2 — CID 3562261

About 1,1,1,2,2,3,3-heptafluoro-3-[2-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)ethoxy]ethylsulfonyl]propane

1,1,1,2,2,3,3-heptafluoro-3-[2-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)ethoxy]ethylsulfonyl]propane (PubChem CID 3562261) has the molecular formula C10H8F14O5S2 and a molecular weight of 538.28 g/mol. Its IUPAC name is 1,1,1,2,2,3,3-heptafluoro-3-[2-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)ethoxy]ethylsulfonyl]propane.

Molecular Properties

• Compound Name: 1,1,1,2,2,3,3-heptafluoro-3-[2-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)ethoxy]ethylsulfonyl]propane
• PubChem CID: 3562261
• Molecular Formula: C10H8F14O5S2
• Molecular Weight: 538.28 g/mol
• Exact Mass: 537.96
• IUPAC Name: 1,1,1,2,2,3,3-heptafluoro-3-[2-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)ethoxy]ethylsulfonyl]propane
• SMILES: O=S(=O)(CCOCCS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C10H8F14O5S2/c11-5(12,7(15,16)17)9(21,22)30(25,26)3-1-29-2-4-31(27,28)10(23,24)6(13,14)8(18,19)20/h1-4H2
• InChIKey: AOEMQYAHCTVBTQ-UHFFFAOYSA-N
• XLogP: 3.41
• TPSA: 77.51 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 10
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.28
LogP ≤ 5	3.41
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-[2-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)ethoxy]ethylsulfonyl]propane?

The IUPAC name of 1,1,1,2,2,3,3-heptafluoro-3-[2-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)ethoxy]ethylsulfonyl]propane (CID 3562261) is 1,1,1,2,2,3,3-heptafluoro-3-[2-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)ethoxy]ethylsulfonyl]propane.

What is the SMILES notation for 1,1,1,2,2,3,3-heptafluoro-3-[2-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)ethoxy]ethylsulfonyl]propane?

The canonical SMILES for 1,1,1,2,2,3,3-heptafluoro-3-[2-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)ethoxy]ethylsulfonyl]propane is O=S(=O)(CCOCCS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of 1,1,1,2,2,3,3-heptafluoro-3-[2-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)ethoxy]ethylsulfonyl]propane?

The InChIKey is AOEMQYAHCTVBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F14O5S2/c11-5(12,7(15,16)17)9(21,22)30(25,26)3-1-29-2-4-31(27,28)10(23,24)6(13,14)8(18,19)20/h1-4H2.

What are the key properties of 1,1,1,2,2,3,3-heptafluoro-3-[2-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)ethoxy]ethylsulfonyl]propane?

1,1,1,2,2,3,3-heptafluoro-3-[2-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)ethoxy]ethylsulfonyl]propane has a molecular weight of 538.28 g/mol, XLogP of 3.41, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1,1,1,2,2,3,3-heptafluoro-3-[2-[2-(1,1,2,2,3,3,3-heptafluoropropylsulfonyl)ethoxy]ethylsulfonyl]propane is sourced from PubChem (CID 3562261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).