2-methoxy-N-(2,2,2-trifluoroethoxy)ethanamine

C5H10F3NO2 — CID 82721265

IUPAC2-methoxy-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOCCNOCC(F)(F)F
InChIInChI=1S/C5H10F3NO2/c1-10-3-2-9-11-4-5(6,7)8/h9H,2-4H2,1H3
InChIKeyAAXYYSVFNFDYIM-UHFFFAOYSA-N
MW173.13 g/mol
LogP0.72
Rot. Bonds5

About 2-methoxy-N-(2,2,2-trifluoroethoxy)ethanamine

2-methoxy-N-(2,2,2-trifluoroethoxy)ethanamine (PubChem CID 82721265) has the molecular formula C5H10F3NO2 and a molecular weight of 173.13 g/mol. Its IUPAC name is 2-methoxy-N-(2,2,2-trifluoroethoxy)ethanamine.

Molecular Properties

Compound Name2-methoxy-N-(2,2,2-trifluoroethoxy)ethanamine
PubChem CID82721265
Molecular FormulaC5H10F3NO2
Molecular Weight173.13 g/mol
Exact Mass173.07
IUPAC Name2-methoxy-N-(2,2,2-trifluoroethoxy)ethanamine
SMILESCOCCNOCC(F)(F)F
InChIInChI=1S/C5H10F3NO2/c1-10-3-2-9-11-4-5(6,7)8/h9H,2-4H2,1H3
InChIKeyAAXYYSVFNFDYIM-UHFFFAOYSA-N
XLogP0.72
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.13
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(2,2,2-trifluoroethoxy)ethanamine?
The IUPAC name of 2-methoxy-N-(2,2,2-trifluoroethoxy)ethanamine (CID 82721265) is 2-methoxy-N-(2,2,2-trifluoroethoxy)ethanamine.
What is the SMILES notation for 2-methoxy-N-(2,2,2-trifluoroethoxy)ethanamine?
The canonical SMILES for 2-methoxy-N-(2,2,2-trifluoroethoxy)ethanamine is COCCNOCC(F)(F)F.
What is the InChIKey of 2-methoxy-N-(2,2,2-trifluoroethoxy)ethanamine?
The InChIKey is AAXYYSVFNFDYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2/c1-10-3-2-9-11-4-5(6,7)8/h9H,2-4H2,1H3.
What are the key properties of 2-methoxy-N-(2,2,2-trifluoroethoxy)ethanamine?
2-methoxy-N-(2,2,2-trifluoroethoxy)ethanamine has a molecular weight of 173.13 g/mol, XLogP of 0.72, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(2,2,2-trifluoroethoxy)ethanamine is sourced from PubChem (CID 82721265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).