2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid

C9H6F3NO4 — CID 65101242

IUPAC2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H6F3NO4/c10-4-1-5(11)8(6(12)2-4)9(16)13-17-3-7(14)15/h1-2H,3H2,(H,13,16)(H,14,15)
InChIKeyYRLVTASGVMVWDW-UHFFFAOYSA-N
MW249.14 g/mol
LogP0.85
Rot. Bonds4

About 2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid

2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid (PubChem CID 65101242) has the molecular formula C9H6F3NO4 and a molecular weight of 249.14 g/mol. Its IUPAC name is 2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid.

Molecular Properties

Compound Name2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid
PubChem CID65101242
Molecular FormulaC9H6F3NO4
Molecular Weight249.14 g/mol
Exact Mass249.02
IUPAC Name2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid
SMILESO=C(O)CONC(=O)c1c(F)cc(F)cc1F
InChIInChI=1S/C9H6F3NO4/c10-4-1-5(11)8(6(12)2-4)9(16)13-17-3-7(14)15/h1-2H,3H2,(H,13,16)(H,14,15)
InChIKeyYRLVTASGVMVWDW-UHFFFAOYSA-N
XLogP0.85
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.14
LogP ≤ 50.85
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

2,4,6-trifluoro-N-phenylmethoxybenzamide
CID 65100420
2-[(3-bromo-5-fluorobenzoyl)amino]oxyacetic acid
CID 63929905
2-[(5-fluoropyridine-3-carbonyl)amino]oxyacetic acid
CID 104785595
2-[(2,4-difluorophenyl)sulfonylamino]oxyacetic acid
CID 60661324
2-[(5-fluoro-3-methyl-1-benzofuran-2-carbonyl)amino]oxyacetic acid
CID 60708400
2-[(5-bromo-2,4-difluorophenyl)carbamoylamino]oxyacetic acid
CID 102854417
3-methoxy-4-[(2,4,6-trifluorobenzoyl)amino]butanoic acid
CID 103153081
(2S)-2-[(2,4,6-trifluorobenzoyl)amino]pentanedioic acid
CID 65101239
2,4,6-trifluoro-N-(3-sulfamoylpropyl)benzamide
CID 65100894
2-[(4-hydroxy-3,5-dimethylbenzoyl)amino]oxyacetic acid
CID 166286482
2-[(2,6-dichloropyridine-4-carbonyl)amino]oxyacetic acid
CID 103603441
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2,4,6-trifluorobenzamide
CID 107845997

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid?
The IUPAC name of 2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid (CID 65101242) is 2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid.
What is the SMILES notation for 2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid?
The canonical SMILES for 2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid is O=C(O)CONC(=O)c1c(F)cc(F)cc1F.
What is the InChIKey of 2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid?
The InChIKey is YRLVTASGVMVWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3NO4/c10-4-1-5(11)8(6(12)2-4)9(16)13-17-3-7(14)15/h1-2H,3H2,(H,13,16)(H,14,15).
What are the key properties of 2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid?
2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid has a molecular weight of 249.14 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4,6-trifluorobenzoyl)amino]oxyacetic acid is sourced from PubChem (CID 65101242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).