GSSCWNQAQDIFLA-UHFFFAOYSA-N

C₉H₄F₁₀O₅ — CID 91710742

About GSSCWNQAQDIFLA-UHFFFAOYSA-N

GSSCWNQAQDIFLA-UHFFFAOYSA-N (PubChem CID 91710742) has the molecular formula C₉H₄F₁₀O₅ and a molecular weight of 382.11 g/mol. Its IUPAC name is [3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

• Compound Name: GSSCWNQAQDIFLA-UHFFFAOYSA-N
• PubChem CID: 91710742
• Molecular Formula: C₉H₄F₁₀O₅
• Molecular Weight: 382.11 g/mol
• Exact Mass: 381.99
• IUPAC Name: [3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate
• SMILES: O=CC(COC(=O)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C9H4F10O5/c10-6(11,8(14,15)16)4(21)23-2-3(1-20)24-5(22)7(12,13)9(17,18)19/h1,3H,2H2
• InChIKey: GSSCWNQAQDIFLA-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 69.67 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	382.11
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of GSSCWNQAQDIFLA-UHFFFAOYSA-N?

The IUPAC name of GSSCWNQAQDIFLA-UHFFFAOYSA-N (CID 91710742) is [3-oxo-2-(2,2,3,3,3-pentafluoropropanoyloxy)propyl] 2,2,3,3,3-pentafluoropropanoate.

What is the SMILES notation for GSSCWNQAQDIFLA-UHFFFAOYSA-N?

The canonical SMILES for GSSCWNQAQDIFLA-UHFFFAOYSA-N is O=CC(COC(=O)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)F.

What is the InChIKey of GSSCWNQAQDIFLA-UHFFFAOYSA-N?

The InChIKey is GSSCWNQAQDIFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4F10O5/c10-6(11,8(14,15)16)4(21)23-2-3(1-20)24-5(22)7(12,13)9(17,18)19/h1,3H,2H2.

What are the key properties of GSSCWNQAQDIFLA-UHFFFAOYSA-N?

GSSCWNQAQDIFLA-UHFFFAOYSA-N has a molecular weight of 382.11 g/mol, XLogP of 2.04, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for GSSCWNQAQDIFLA-UHFFFAOYSA-N is sourced from PubChem (CID 91710742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 91710742 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.