2-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium;2,2,2-trifluoroacetate

C15H29F3N2O8 — CID 145379649

IUPAC2-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]CCOCCOCCOCCOCCOCCNC=O
InChIInChI=1S/C13H28N2O6.C2HF3O2/c14-1-3-17-5-7-19-9-11-21-12-10-20-8-6-18-4-2-15-13-16;3-2(4,5)1(6)7/h13H,1-12,14H2,(H,15,16);(H,6,7)
InChIKeyNYXVFVBUMIIJNO-UHFFFAOYSA-N
MW422.40 g/mol
LogP-2.64
Rot. Bonds18

About 2-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium;2,2,2-trifluoroacetate

2-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium;2,2,2-trifluoroacetate (PubChem CID 145379649) has the molecular formula C15H29F3N2O8 and a molecular weight of 422.40 g/mol. Its IUPAC name is 2-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium;2,2,2-trifluoroacetate.

Molecular Properties

Compound Name2-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium;2,2,2-trifluoroacetate
PubChem CID145379649
Molecular FormulaC15H29F3N2O8
Molecular Weight422.40 g/mol
Exact Mass422.19
IUPAC Name2-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium;2,2,2-trifluoroacetate
SMILESO=C([O-])C(F)(F)F.[NH3+]CCOCCOCCOCCOCCOCCNC=O
InChIInChI=1S/C13H28N2O6.C2HF3O2/c14-1-3-17-5-7-19-9-11-21-12-10-20-8-6-18-4-2-15-13-16;3-2(4,5)1(6)7/h13H,1-12,14H2,(H,15,16);(H,6,7)
InChIKeyNYXVFVBUMIIJNO-UHFFFAOYSA-N
XLogP-2.64
TPSA143.02 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds18
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.40
LogP ≤ 5-2.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium;2,2,2-trifluoroacetate?
The IUPAC name of 2-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium;2,2,2-trifluoroacetate (CID 145379649) is 2-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium;2,2,2-trifluoroacetate.
What is the SMILES notation for 2-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium;2,2,2-trifluoroacetate?
The canonical SMILES for 2-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium;2,2,2-trifluoroacetate is O=C([O-])C(F)(F)F.[NH3+]CCOCCOCCOCCOCCOCCNC=O.
What is the InChIKey of 2-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium;2,2,2-trifluoroacetate?
The InChIKey is NYXVFVBUMIIJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H28N2O6.C2HF3O2/c14-1-3-17-5-7-19-9-11-21-12-10-20-8-6-18-4-2-15-13-16;3-2(4,5)1(6)7/h13H,1-12,14H2,(H,15,16);(H,6,7).
What are the key properties of 2-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium;2,2,2-trifluoroacetate?
2-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium;2,2,2-trifluoroacetate has a molecular weight of 422.40 g/mol, XLogP of -2.64, 18 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-[2-(2-formamidoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethylazanium;2,2,2-trifluoroacetate is sourced from PubChem (CID 145379649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).