2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid

C6H5F6NO4 — CID 103309195

IUPAC2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F6NO4/c7-5(8,9)3(6(10,11)12)4(16)13-17-1-2(14)15/h3H,1H2,(H,13,16)(H,14,15)
InChIKeyGLARFZPZNXIIAY-UHFFFAOYSA-N
MW269.10 g/mol
LogP0.86
Rot. Bonds4

About 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid

2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid (PubChem CID 103309195) has the molecular formula C6H5F6NO4 and a molecular weight of 269.10 g/mol. Its IUPAC name is 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid.

Molecular Properties

Compound Name2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid
PubChem CID103309195
Molecular FormulaC6H5F6NO4
Molecular Weight269.10 g/mol
Exact Mass269.01
IUPAC Name2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid
SMILESO=C(O)CONC(=O)C(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H5F6NO4/c7-5(8,9)3(6(10,11)12)4(16)13-17-1-2(14)15/h3H,1H2,(H,13,16)(H,14,15)
InChIKeyGLARFZPZNXIIAY-UHFFFAOYSA-N
XLogP0.86
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.10
LogP ≤ 50.86
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

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-Difluoroacetyl)amino]oxyacetic acid
CID 103513309
2-(2,2,3,3-Tetrafluoropropanoylamino)oxyacetic acid
CID 108052989
2-(2,2,3,3,3-Pentafluoropropanoylamino)oxyacetic acid
CID 108093378

Frequently Asked Questions

What is the IUPAC name of 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid?
The IUPAC name of 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid (CID 103309195) is 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid.
What is the SMILES notation for 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid?
The canonical SMILES for 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid is O=C(O)CONC(=O)C(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid?
The InChIKey is GLARFZPZNXIIAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5F6NO4/c7-5(8,9)3(6(10,11)12)4(16)13-17-1-2(14)15/h3H,1H2,(H,13,16)(H,14,15).
What are the key properties of 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid?
2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid has a molecular weight of 269.10 g/mol, XLogP of 0.86, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]oxyacetic acid is sourced from PubChem (CID 103309195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).