ethyl 2-[2-(2,2,2-trifluoroethylamino)ethoxy]acetate

C8H14F3NO3 — CID 103235294

IUPACethyl 2-[2-(2,2,2-trifluoroethylamino)ethoxy]acetate
SMILESCCOC(=O)COCCNCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-2-15-7(13)5-14-4-3-12-6-8(9,10)11/h12H,2-6H2,1H3
InChIKeyMJXPUDRCXJASFT-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.72
Rot. Bonds7

About ethyl 2-[2-(2,2,2-trifluoroethylamino)ethoxy]acetate

ethyl 2-[2-(2,2,2-trifluoroethylamino)ethoxy]acetate (PubChem CID 103235294) has the molecular formula C8H14F3NO3 and a molecular weight of 229.20 g/mol. Its IUPAC name is ethyl 2-[2-(2,2,2-trifluoroethylamino)ethoxy]acetate.

Molecular Properties

Compound Nameethyl 2-[2-(2,2,2-trifluoroethylamino)ethoxy]acetate
PubChem CID103235294
Molecular FormulaC8H14F3NO3
Molecular Weight229.20 g/mol
Exact Mass229.09
IUPAC Nameethyl 2-[2-(2,2,2-trifluoroethylamino)ethoxy]acetate
SMILESCCOC(=O)COCCNCC(F)(F)F
InChIInChI=1S/C8H14F3NO3/c1-2-15-7(13)5-14-4-3-12-6-8(9,10)11/h12H,2-6H2,1H3
InChIKeyMJXPUDRCXJASFT-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 ethyl 2-[2-(2,2,2-trifluoroethylamino)ethoxy]acetate?
The IUPAC name of ethyl 2-[2-(2,2,2-trifluoroethylamino)ethoxy]acetate (CID 103235294) is ethyl 2-[2-(2,2,2-trifluoroethylamino)ethoxy]acetate.
What is the SMILES notation for ethyl 2-[2-(2,2,2-trifluoroethylamino)ethoxy]acetate?
The canonical SMILES for ethyl 2-[2-(2,2,2-trifluoroethylamino)ethoxy]acetate is CCOC(=O)COCCNCC(F)(F)F.
What is the InChIKey of ethyl 2-[2-(2,2,2-trifluoroethylamino)ethoxy]acetate?
The InChIKey is MJXPUDRCXJASFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO3/c1-2-15-7(13)5-14-4-3-12-6-8(9,10)11/h12H,2-6H2,1H3.
What are the key properties of ethyl 2-[2-(2,2,2-trifluoroethylamino)ethoxy]acetate?
ethyl 2-[2-(2,2,2-trifluoroethylamino)ethoxy]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 ethyl 2-[2-(2,2,2-trifluoroethylamino)ethoxy]acetate is sourced from PubChem (CID 103235294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).