[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate

C13F24O6 — CID 131724887

IUPAC[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13F24O6/c14-3(15,6(19,20)21)1(38)40-9(28,29)5(18,8(25,26)27)42-12(34,35)13(36,37)43-11(32,33)10(30,31)41-2(39)4(16,17)7(22,23)24
InChIKeyKJICLYPNENAPFE-UHFFFAOYSA-N
MW708.09 g/mol
LogP6.69
Rot. Bonds11

About [1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate

[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate (PubChem CID 131724887) has the molecular formula C13F24O6 and a molecular weight of 708.09 g/mol. Its IUPAC name is [1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate
PubChem CID131724887
Molecular FormulaC13F24O6
Molecular Weight708.09 g/mol
Exact Mass707.93
IUPAC Name[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate
SMILESO=C(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F
InChIInChI=1S/C13F24O6/c14-3(15,6(19,20)21)1(38)40-9(28,29)5(18,8(25,26)27)42-12(34,35)13(36,37)43-11(32,33)10(30,31)41-2(39)4(16,17)7(22,23)24
InChIKeyKJICLYPNENAPFE-UHFFFAOYSA-N
XLogP6.69
TPSA71.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500708.09
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze [1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate with MolForge

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Frequently Asked Questions

What is the IUPAC name of [1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of [1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate (CID 131724887) is [1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for [1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for [1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate is O=C(OC(F)(F)C(F)(F)OC(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F.
What is the InChIKey of [1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is KJICLYPNENAPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13F24O6/c14-3(15,6(19,20)21)1(38)40-9(28,29)5(18,8(25,26)27)42-12(34,35)13(36,37)43-11(32,33)10(30,31)41-2(39)4(16,17)7(22,23)24.
What are the key properties of [1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate?
[1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 708.09 g/mol, XLogP of 6.69, 11 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1,1,2,3,3,3-hexafluoro-2-[1,1,2,2-tetrafluoro-2-[1,1,2,2-tetrafluoro-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethoxy]ethoxy]propyl] 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 131724887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).