2-[(2,2,2-trifluoroacetyl)amino]oxyacetic acid

C4H4F3NO4 — CID 63929092

IUPAC2-[(2,2,2-trifluoroacetyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)C(F)(F)F
InChIInChI=1S/C4H4F3NO4/c5-4(6,7)3(11)8-12-1-2(9)10/h1H2,(H,8,11)(H,9,10)
InChIKeyFOSZOYCXJZQHNM-UHFFFAOYSA-N
MW187.07 g/mol
LogP-0.32
Rot. Bonds3

About 2-[(2,2,2-trifluoroacetyl)amino]oxyacetic acid

2-[(2,2,2-trifluoroacetyl)amino]oxyacetic acid (PubChem CID 63929092) has the molecular formula C4H4F3NO4 and a molecular weight of 187.07 g/mol. Its IUPAC name is 2-[(2,2,2-trifluoroacetyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2,2,2-trifluoroacetyl)amino]oxyacetic acid
PubChem CID63929092
Molecular FormulaC4H4F3NO4
Molecular Weight187.07 g/mol
Exact Mass187.01
IUPAC Name2-[(2,2,2-trifluoroacetyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)C(F)(F)F
InChIInChI=1S/C4H4F3NO4/c5-4(6,7)3(11)8-12-1-2(9)10/h1H2,(H,8,11)(H,9,10)
InChIKeyFOSZOYCXJZQHNM-UHFFFAOYSA-N
XLogP-0.32
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.07
LogP ≤ 5-0.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-trifluoroacetyl)amino]oxyacetic acid?
The IUPAC name of 2-[(2,2,2-trifluoroacetyl)amino]oxyacetic acid (CID 63929092) is 2-[(2,2,2-trifluoroacetyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(2,2,2-trifluoroacetyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(2,2,2-trifluoroacetyl)amino]oxyacetic acid is O=C(O)CONC(=O)C(F)(F)F.
What is the InChIKey of 2-[(2,2,2-trifluoroacetyl)amino]oxyacetic acid?
The InChIKey is FOSZOYCXJZQHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4F3NO4/c5-4(6,7)3(11)8-12-1-2(9)10/h1H2,(H,8,11)(H,9,10).
What are the key properties of 2-[(2,2,2-trifluoroacetyl)amino]oxyacetic acid?
2-[(2,2,2-trifluoroacetyl)amino]oxyacetic acid has a molecular weight of 187.07 g/mol, XLogP of -0.32, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,2-trifluoroacetyl)amino]oxyacetic acid is sourced from PubChem (CID 63929092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).