2-ethoxyethyl 2-(2,2,2-trifluoroethylamino)acetate

C8H14F3NO3 — CID 78924460

IUPAC2-ethoxyethyl 2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOCCOC(=O)CNCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-2-14-3-4-15-7(13)5-12-6-8(9,10)11/h12H,2-6H2,1H3
InChIKeyPNCVUPQHBAYPSV-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.72
Rot. Bonds7

About 2-ethoxyethyl 2-(2,2,2-trifluoroethylamino)acetate

2-ethoxyethyl 2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 78924460) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is 2-ethoxyethyl 2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Name2-ethoxyethyl 2-(2,2,2-trifluoroethylamino)acetate
PubChem CID78924460
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Name2-ethoxyethyl 2-(2,2,2-trifluoroethylamino)acetate
SMILESCCOCCOC(=O)CNCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-2-14-3-4-15-7(13)5-12-6-8(9,10)11/h12H,2-6H2,1H3
InChIKeyPNCVUPQHBAYPSV-UHFFFAOYSA-N
XLogP0.72
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.72
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-ethoxyethyl 2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of 2-ethoxyethyl 2-(2,2,2-trifluoroethylamino)acetate (CID 78924460) is 2-ethoxyethyl 2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for 2-ethoxyethyl 2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for 2-ethoxyethyl 2-(2,2,2-trifluoroethylamino)acetate is CCOCCOC(=O)CNCC(F)(F)F.
What is the InChIKey of 2-ethoxyethyl 2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is PNCVUPQHBAYPSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-2-14-3-4-15-7(13)5-12-6-8(9,10)11/h12H,2-6H2,1H3.
What are the key properties of 2-ethoxyethyl 2-(2,2,2-trifluoroethylamino)acetate?
2-ethoxyethyl 2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 229.20 g/mol, XLogP of 0.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethoxyethyl 2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 78924460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).