2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine

C7H14F3NO3 — CID 118166069

IUPAC2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOC(F)(F)F
InChIInChI=1S/C7H14F3NO3/c8-7(9,10)14-6-5-13-4-3-12-2-1-11/h1-6,11H2
InChIKeyGNQOOLBVSXCWOH-UHFFFAOYSA-N
MW217.19 g/mol
LogP0.51
Rot. Bonds8

About 2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine

2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine (PubChem CID 118166069) has the molecular formula C7H14F3NO3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine.

Molecular Properties

Compound Name2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine
PubChem CID118166069
Molecular FormulaC7H14F3NO3
Molecular Weight217.19 g/mol
Exact Mass217.09
IUPAC Name2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine
SMILESNCCOCCOCCOC(F)(F)F
InChIInChI=1S/C7H14F3NO3/c8-7(9,10)14-6-5-13-4-3-12-2-1-11/h1-6,11H2
InChIKeyGNQOOLBVSXCWOH-UHFFFAOYSA-N
XLogP0.51
TPSA53.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 50.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(trifluoromethoxy)ethoxy]ethoxy]ethanamine?
The IUPAC name of 2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine (CID 118166069) is 2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine.
What is the SMILES notation for 2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine?
The canonical SMILES for 2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine is NCCOCCOCCOC(F)(F)F.
What is the InChIKey of 2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine?
The InChIKey is GNQOOLBVSXCWOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14F3NO3/c8-7(9,10)14-6-5-13-4-3-12-2-1-11/h1-6,11H2.
What are the key properties of 2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine?
2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine has a molecular weight of 217.19 g/mol, XLogP of 0.51, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(trifluoromethoxy)ethoxy]ethoxy]ethanamine is sourced from PubChem (CID 118166069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).