2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate

C13H24F3NO6 — CID 175191284

IUPAC2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
SMILESCNCCOCCOCCOCCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C13H24F3NO6/c1-17-2-3-19-4-5-20-6-7-21-8-9-22-10-11-23-12(18)13(14,15)16/h17H,2-11H2,1H3
InChIKeySOYCBVFZQOGGSK-UHFFFAOYSA-N
MW347.33 g/mol
LogP0.38
Rot. Bonds15

About 2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate

2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate (PubChem CID 175191284) has the molecular formula C13H24F3NO6 and a molecular weight of 347.33 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
PubChem CID175191284
Molecular FormulaC13H24F3NO6
Molecular Weight347.33 g/mol
Exact Mass347.16
IUPAC Name2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate
SMILESCNCCOCCOCCOCCOCCOC(=O)C(F)(F)F
InChIInChI=1S/C13H24F3NO6/c1-17-2-3-19-4-5-20-6-7-21-8-9-22-10-11-23-12(18)13(14,15)16/h17H,2-11H2,1H3
InChIKeySOYCBVFZQOGGSK-UHFFFAOYSA-N
XLogP0.38
TPSA75.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate?
The IUPAC name of 2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate (CID 175191284) is 2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate.
What is the SMILES notation for 2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate?
The canonical SMILES for 2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate is CNCCOCCOCCOCCOCCOC(=O)C(F)(F)F.
What is the InChIKey of 2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate?
The InChIKey is SOYCBVFZQOGGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24F3NO6/c1-17-2-3-19-4-5-20-6-7-21-8-9-22-10-11-23-12(18)13(14,15)16/h17H,2-11H2,1H3.
What are the key properties of 2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate?
2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate has a molecular weight of 347.33 g/mol, XLogP of 0.38, 15 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2,2,2-trifluoroacetate is sourced from PubChem (CID 175191284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).