2-methoxyethyl 2-(2,2,2-trifluoroethylamino)acetate

C7H12F3NO3 — CID 78924495

IUPAC2-methoxyethyl 2-(2,2,2-trifluoroethylamino)acetate
SMILESCOCCOC(=O)CNCC(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-13-2-3-14-6(12)4-11-5-7(8,9)10/h11H,2-5H2,1H3
InChIKeyRLLGHIQZQSVUEW-UHFFFAOYSA-N
MW215.17 g/mol
LogP0.33
Rot. Bonds6

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

2-methoxyethyl 2-(2,2,2-trifluoroethylamino)acetate (PubChem CID 78924495) has the molecular formula C7H12F3NO3 and a molecular weight of 215.17 g/mol. Its IUPAC name is 2-methoxyethyl 2-(2,2,2-trifluoroethylamino)acetate.

Molecular Properties

Compound Name2-methoxyethyl 2-(2,2,2-trifluoroethylamino)acetate
PubChem CID78924495
Molecular FormulaC7H12F3NO3
Molecular Weight215.17 g/mol
Exact Mass215.08
IUPAC Name2-methoxyethyl 2-(2,2,2-trifluoroethylamino)acetate
SMILESCOCCOC(=O)CNCC(F)(F)F
InChIInChI=1S/C7H12F3NO3/c1-13-2-3-14-6(12)4-11-5-7(8,9)10/h11H,2-5H2,1H3
InChIKeyRLLGHIQZQSVUEW-UHFFFAOYSA-N
XLogP0.33
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.17
LogP ≤ 50.33
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-methoxyethyl 2-(2,2,2-trifluoroethylamino)acetate?
The IUPAC name of 2-methoxyethyl 2-(2,2,2-trifluoroethylamino)acetate (CID 78924495) is 2-methoxyethyl 2-(2,2,2-trifluoroethylamino)acetate.
What is the SMILES notation for 2-methoxyethyl 2-(2,2,2-trifluoroethylamino)acetate?
The canonical SMILES for 2-methoxyethyl 2-(2,2,2-trifluoroethylamino)acetate is COCCOC(=O)CNCC(F)(F)F.
What is the InChIKey of 2-methoxyethyl 2-(2,2,2-trifluoroethylamino)acetate?
The InChIKey is RLLGHIQZQSVUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO3/c1-13-2-3-14-6(12)4-11-5-7(8,9)10/h11H,2-5H2,1H3.
What are the key properties of 2-methoxyethyl 2-(2,2,2-trifluoroethylamino)acetate?
2-methoxyethyl 2-(2,2,2-trifluoroethylamino)acetate has a molecular weight of 215.17 g/mol, XLogP of 0.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxyethyl 2-(2,2,2-trifluoroethylamino)acetate is sourced from PubChem (CID 78924495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).