2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate

C11H17F5O5 — CID 91692315

IUPAC2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H17F5O5/c1-2-18-3-4-19-5-6-20-7-8-21-9(17)10(12,13)11(14,15)16/h2-8H2,1H3
InChIKeyAGLKEEOFOBNSPE-UHFFFAOYSA-N
MW324.24 g/mol
LogP1.80
Rot. Bonds11

About 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate

2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 91692315) has the molecular formula C11H17F5O5 and a molecular weight of 324.24 g/mol. Its IUPAC name is 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Name2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID91692315
Molecular FormulaC11H17F5O5
Molecular Weight324.24 g/mol
Exact Mass324.10
IUPAC Name2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H17F5O5/c1-2-18-3-4-19-5-6-20-7-8-21-9(17)10(12,13)11(14,15)16/h2-8H2,1H3
InChIKeyAGLKEEOFOBNSPE-UHFFFAOYSA-N
XLogP1.80
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.24
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate (CID 91692315) is 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate is CCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is AGLKEEOFOBNSPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F5O5/c1-2-18-3-4-19-5-6-20-7-8-21-9(17)10(12,13)11(14,15)16/h2-8H2,1H3.
What are the key properties of 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate?
2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 324.24 g/mol, XLogP of 1.80, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-ethoxyethoxy)ethoxy]ethyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 91692315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).