[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate

C10F20O4 — CID 11548624

About [1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate

[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate (PubChem CID 11548624) has the molecular formula C10F20O4 and a molecular weight of 564.07 g/mol. Its IUPAC name is [1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate.

Molecular Properties

• Compound Name: [1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
• PubChem CID: 11548624
• Molecular Formula: C10F20O4
• Molecular Weight: 564.07 g/mol
• Exact Mass: 563.95
• IUPAC Name: [1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
• SMILES: O=C(OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
• InChI: InChI=1S/C10F20O4/c11-2(5(16,17)18,33-8(24,25)3(12,13)6(19,20)21)1(31)32-7(22,23)4(14,15)9(26,27)34-10(28,29)30
• InChIKey: OJAWKJFOPFREFS-UHFFFAOYSA-N
• XLogP: 5.92
• TPSA: 44.76 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	564.07
LogP ≤ 5	5.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?

The IUPAC name of [1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate (CID 11548624) is [1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate.

What is the SMILES notation for [1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?

The canonical SMILES for [1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate is O=C(OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.

What is the InChIKey of [1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?

The InChIKey is OJAWKJFOPFREFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10F20O4/c11-2(5(16,17)18,33-8(24,25)3(12,13)6(19,20)21)1(31)32-7(22,23)4(14,15)9(26,27)34-10(28,29)30.

What are the key properties of [1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate?

[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate has a molecular weight of 564.07 g/mol, XLogP of 5.92, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propyl] 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate is sourced from PubChem (CID 11548624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).