2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2-trifluoro-2-[5-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]-1,4-dioxan-2-yl]ethyl]morpholine

C16H8F23NO5 — CID 137440891

About 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2-trifluoro-2-[5-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]-1,4-dioxan-2-yl]ethyl]morpholine

2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2-trifluoro-2-[5-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]-1,4-dioxan-2-yl]ethyl]morpholine (PubChem CID 137440891) has the molecular formula C16H8F23NO5 and a molecular weight of 731.20 g/mol. Its IUPAC name is 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2-trifluoro-2-[5-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]-1,4-dioxan-2-yl]ethyl]morpholine.

Molecular Properties

• Compound Name: 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2-trifluoro-2-[5-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]-1,4-dioxan-2-yl]ethyl]morpholine
• PubChem CID: 137440891
• Molecular Formula: C16H8F23NO5
• Molecular Weight: 731.20 g/mol
• Exact Mass: 731.00
• IUPAC Name: 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2-trifluoro-2-[5-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]-1,4-dioxan-2-yl]ethyl]morpholine
• SMILES: FC(OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)C1COC(C(F)(F)C(F)N2C(F)(F)C(F)(F)OC(F)(F)C2(F)F)CO1
• InChI: InChI=1S/C16H8F23NO5/c17-5(40-10(25,26)14(33,34)44-15(35,36)11(40,27)28)7(19,20)3-1-42-4(2-41-3)8(21,22)6(18)43-12(29,30)9(23,24)13(31,32)45-16(37,38)39/h3-6H,1-2H2
• InChIKey: YDSIRCALYXNABF-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 49.39 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	731.20
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2-trifluoro-2-[5-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]-1,4-dioxan-2-yl]ethyl]morpholine?

The IUPAC name of 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2-trifluoro-2-[5-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]-1,4-dioxan-2-yl]ethyl]morpholine (CID 137440891) is 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2-trifluoro-2-[5-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]-1,4-dioxan-2-yl]ethyl]morpholine.

What is the SMILES notation for 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2-trifluoro-2-[5-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]-1,4-dioxan-2-yl]ethyl]morpholine?

The canonical SMILES for 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2-trifluoro-2-[5-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]-1,4-dioxan-2-yl]ethyl]morpholine is FC(OC(F)(F)C(F)(F)C(F)(F)OC(F)(F)F)C(F)(F)C1COC(C(F)(F)C(F)N2C(F)(F)C(F)(F)OC(F)(F)C2(F)F)CO1.

What is the InChIKey of 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2-trifluoro-2-[5-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]-1,4-dioxan-2-yl]ethyl]morpholine?

The InChIKey is YDSIRCALYXNABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8F23NO5/c17-5(40-10(25,26)14(33,34)44-15(35,36)11(40,27)28)7(19,20)3-1-42-4(2-41-3)8(21,22)6(18)43-12(29,30)9(23,24)13(31,32)45-16(37,38)39/h3-6H,1-2H2.

What are the key properties of 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2-trifluoro-2-[5-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]-1,4-dioxan-2-yl]ethyl]morpholine?

2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2-trifluoro-2-[5-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]-1,4-dioxan-2-yl]ethyl]morpholine has a molecular weight of 731.20 g/mol, XLogP of 6.71, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2,3,3,5,5,6,6-octafluoro-4-[1,2,2-trifluoro-2-[5-[1,1,2-trifluoro-2-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]ethyl]-1,4-dioxan-2-yl]ethyl]morpholine is sourced from PubChem (CID 137440891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).