2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

C11H15F7O5 — CID 91694253

IUPAC2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H15F7O5/c1-20-2-3-21-4-5-22-6-7-23-8(19)9(12,13)10(14,15)11(16,17)18/h2-7H2,1H3
InChIKeyUHMSQURMLHELID-UHFFFAOYSA-N
MW360.22 g/mol
LogP2.04
Rot. Bonds11

About 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate

2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate (PubChem CID 91694253) has the molecular formula C11H15F7O5 and a molecular weight of 360.22 g/mol. Its IUPAC name is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate.

Molecular Properties

Compound Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
PubChem CID91694253
Molecular FormulaC11H15F7O5
Molecular Weight360.22 g/mol
Exact Mass360.08
IUPAC Name2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate
SMILESCOCCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F
InChIInChI=1S/C11H15F7O5/c1-20-2-3-21-4-5-22-6-7-23-8(19)9(12,13)10(14,15)11(16,17)18/h2-7H2,1H3
InChIKeyUHMSQURMLHELID-UHFFFAOYSA-N
XLogP2.04
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.22
LogP ≤ 52.04
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-methoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The IUPAC name of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate (CID 91694253) is 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate.
What is the SMILES notation for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The canonical SMILES for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate is COCCOCCOCCOC(=O)C(F)(F)C(F)(F)C(F)(F)F.
What is the InChIKey of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
The InChIKey is UHMSQURMLHELID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F7O5/c1-20-2-3-21-4-5-22-6-7-23-8(19)9(12,13)10(14,15)11(16,17)18/h2-7H2,1H3.
What are the key properties of 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate?
2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate has a molecular weight of 360.22 g/mol, XLogP of 2.04, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methoxyethoxy)ethoxy]ethyl 2,2,3,3,4,4,4-heptafluorobutanoate is sourced from PubChem (CID 91694253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).