[3-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate

C17H11F19O8 — CID 166849986

About [3-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate

[3-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate (PubChem CID 166849986) has the molecular formula C17H11F19O8 and a molecular weight of 704.23 g/mol. Its IUPAC name is [3-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate.

Molecular Properties

• Compound Name: [3-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate
• PubChem CID: 166849986
• Molecular Formula: C17H11F19O8
• Molecular Weight: 704.23 g/mol
• Exact Mass: 704.02
• IUPAC Name: [3-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate
• SMILES: C=C(C)C(=O)OCC(O)COC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
• InChI: InChI=1S/C17H11F19O8/c1-5(2)7(38)40-3-6(37)4-41-8(39)9(18,19)42-14(29,30)15(31,32)44-17(35,36)16(33,34)43-13(27,28)11(22,23)10(20,21)12(24,25)26/h6,37H,1,3-4H2,2H3
• InChIKey: DKGXILLKRKLKMM-UHFFFAOYSA-N
• XLogP: 5.45
• TPSA: 100.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 16
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	704.23
LogP ≤ 5	5.45
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [3-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate?

The IUPAC name of [3-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate (CID 166849986) is [3-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate.

What is the SMILES notation for [3-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate?

The canonical SMILES for [3-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate is C=C(C)C(=O)OCC(O)COC(=O)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)C(F)(F)C(F)(F)F.

What is the InChIKey of [3-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate?

The InChIKey is DKGXILLKRKLKMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F19O8/c1-5(2)7(38)40-3-6(37)4-41-8(39)9(18,19)42-14(29,30)15(31,32)44-17(35,36)16(33,34)43-13(27,28)11(22,23)10(20,21)12(24,25)26/h6,37H,1,3-4H2,2H3.

What are the key properties of [3-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate?

[3-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate has a molecular weight of 704.23 g/mol, XLogP of 5.45, 16 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[2,2-difluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(1,1,2,2,3,3,4,4,4-nonafluorobutoxy)ethoxy]ethoxy]acetyl]oxy-2-hydroxypropyl] 2-methylprop-2-enoate is sourced from PubChem (CID 166849986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).