stibanyl 2-fluoro-2-oxoacetate

C2H2FO3Sb — CID 175212180

IUPACstibanyl 2-fluoro-2-oxoacetate
SMILESO=C(F)C(=O)O[SbH2]
InChIInChI=1S/C2HFO3.Sb.2H/c3-1(4)2(5)6;;;/h(H,5,6);;;/q;+1;;/p-1
InChIKeyFBOHKCJZJLVGDF-UHFFFAOYSA-M
MW214.79 g/mol
LogP-1.43
Rot. Bonds1

About stibanyl 2-fluoro-2-oxoacetate

stibanyl 2-fluoro-2-oxoacetate (PubChem CID 175212180) has the molecular formula C2H2FO3Sb and a molecular weight of 214.79 g/mol. Its IUPAC name is stibanyl 2-fluoro-2-oxoacetate.

Molecular Properties

Compound Namestibanyl 2-fluoro-2-oxoacetate
PubChem CID175212180
Molecular FormulaC2H2FO3Sb
Molecular Weight214.79 g/mol
Exact Mass213.90
IUPAC Namestibanyl 2-fluoro-2-oxoacetate
SMILESO=C(F)C(=O)O[SbH2]
InChIInChI=1S/C2HFO3.Sb.2H/c3-1(4)2(5)6;;;/h(H,5,6);;;/q;+1;;/p-1
InChIKeyFBOHKCJZJLVGDF-UHFFFAOYSA-M
XLogP-1.43
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.79
LogP ≤ 5-1.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of stibanyl 2-fluoro-2-oxoacetate?
The IUPAC name of stibanyl 2-fluoro-2-oxoacetate (CID 175212180) is stibanyl 2-fluoro-2-oxoacetate.
What is the SMILES notation for stibanyl 2-fluoro-2-oxoacetate?
The canonical SMILES for stibanyl 2-fluoro-2-oxoacetate is O=C(F)C(=O)O[SbH2].
What is the InChIKey of stibanyl 2-fluoro-2-oxoacetate?
The InChIKey is FBOHKCJZJLVGDF-UHFFFAOYSA-M. The full InChI is InChI=1S/C2HFO3.Sb.2H/c3-1(4)2(5)6;;;/h(H,5,6);;;/q;+1;;/p-1.
What are the key properties of stibanyl 2-fluoro-2-oxoacetate?
stibanyl 2-fluoro-2-oxoacetate has a molecular weight of 214.79 g/mol, XLogP of -1.43, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for stibanyl 2-fluoro-2-oxoacetate is sourced from PubChem (CID 175212180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).