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

C4H5F2NO4 — CID 103513309

IUPAC2-[(2,2-difluoroacetyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)C(F)F
InChIInChI=1S/C4H5F2NO4/c5-3(6)4(10)7-11-1-2(8)9/h3H,1H2,(H,7,10)(H,8,9)
InChIKeyVQLYCORQIXYDOP-UHFFFAOYSA-N
MW169.08 g/mol
LogP-0.62
Rot. Bonds4

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

2-[(2,2-difluoroacetyl)amino]oxyacetic acid (PubChem CID 103513309) has the molecular formula C4H5F2NO4 and a molecular weight of 169.08 g/mol. Its IUPAC name is 2-[(2,2-difluoroacetyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2,2-difluoroacetyl)amino]oxyacetic acid
PubChem CID103513309
Molecular FormulaC4H5F2NO4
Molecular Weight169.08 g/mol
Exact Mass169.02
IUPAC Name2-[(2,2-difluoroacetyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)C(F)F
InChIInChI=1S/C4H5F2NO4/c5-3(6)4(10)7-11-1-2(8)9/h3H,1H2,(H,7,10)(H,8,9)
InChIKeyVQLYCORQIXYDOP-UHFFFAOYSA-N
XLogP-0.62
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.08
LogP ≤ 5-0.62
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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Related Compounds

Acetic acid, 2-acetamidooxy-
CID 21479
2-[(2,2-Difluoro-2-methoxyacetyl)amino]oxyacetic acid
CID 89358220
2-(3,3,3-Trifluoropropanoylamino)oxyacetic acid
CID 63914916
2-[(2,2,2-Trifluoroacetyl)amino]oxyacetic acid
CID 63929092
2-(4,4,4-Trifluorobutanoylamino)oxyacetic acid
CID 65712702
2-[[2-(2,2,2-Trifluoroethoxy)acetyl]amino]oxyacetic acid
CID 103206022
2-[[3,3,3-Trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid
CID 103309195
2-(2,2,3,3-Tetrafluoropropanoylamino)oxyacetic acid
CID 108052989
2-(2,2,3,3,3-Pentafluoropropanoylamino)oxyacetic acid
CID 108093378
Acetamido 2-hydroxyacetate
CID 54553332

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-difluoroacetyl)amino]oxyacetic acid?
The IUPAC name of 2-[(2,2-difluoroacetyl)amino]oxyacetic acid (CID 103513309) is 2-[(2,2-difluoroacetyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(2,2-difluoroacetyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(2,2-difluoroacetyl)amino]oxyacetic acid is O=C(O)CONC(=O)C(F)F.
What is the InChIKey of 2-[(2,2-difluoroacetyl)amino]oxyacetic acid?
The InChIKey is VQLYCORQIXYDOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F2NO4/c5-3(6)4(10)7-11-1-2(8)9/h3H,1H2,(H,7,10)(H,8,9).
What are the key properties of 2-[(2,2-difluoroacetyl)amino]oxyacetic acid?
2-[(2,2-difluoroacetyl)amino]oxyacetic acid has a molecular weight of 169.08 g/mol, XLogP of -0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-difluoroacetyl)amino]oxyacetic acid is sourced from PubChem (CID 103513309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).