2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]oxyacetic acid

C6H8F3NO5 — CID 103206022

IUPAC2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)COCC(F)(F)F
InChIInChI=1S/C6H8F3NO5/c7-6(8,9)3-14-1-4(11)10-15-2-5(12)13/h1-3H2,(H,10,11)(H,12,13)
InChIKeyOYERMEUQMWYSGA-UHFFFAOYSA-N
MW231.13 g/mol
LogP-0.30
Rot. Bonds6

About 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]oxyacetic acid

2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]oxyacetic acid (PubChem CID 103206022) has the molecular formula C6H8F3NO5 and a molecular weight of 231.13 g/mol. Its IUPAC name is 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]oxyacetic acid
PubChem CID103206022
Molecular FormulaC6H8F3NO5
Molecular Weight231.13 g/mol
Exact Mass231.04
IUPAC Name2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)COCC(F)(F)F
InChIInChI=1S/C6H8F3NO5/c7-6(8,9)3-14-1-4(11)10-15-2-5(12)13/h1-3H2,(H,10,11)(H,12,13)
InChIKeyOYERMEUQMWYSGA-UHFFFAOYSA-N
XLogP-0.30
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.13
LogP ≤ 5-0.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]oxyacetic acid?
The IUPAC name of 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]oxyacetic acid (CID 103206022) is 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]oxyacetic acid is O=C(O)CONC(=O)COCC(F)(F)F.
What is the InChIKey of 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]oxyacetic acid?
The InChIKey is OYERMEUQMWYSGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3NO5/c7-6(8,9)3-14-1-4(11)10-15-2-5(12)13/h1-3H2,(H,10,11)(H,12,13).
What are the key properties of 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]oxyacetic acid?
2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]oxyacetic acid has a molecular weight of 231.13 g/mol, XLogP of -0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,2,2-trifluoroethoxy)acetyl]amino]oxyacetic acid is sourced from PubChem (CID 103206022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).