iodo 2-fluoro-2-oxoacetate

C2FIO3 — CID 175208128

IUPACiodo 2-fluoro-2-oxoacetate
SMILESO=C(F)C(=O)OI
InChIInChI=1S/C2FIO3/c3-1(5)2(6)7-4
InChIKeyHRPCOLPGEVOQOI-UHFFFAOYSA-N
MW217.92 g/mol
LogP0.38
Rot. Bonds1

About iodo 2-fluoro-2-oxoacetate

iodo 2-fluoro-2-oxoacetate (PubChem CID 175208128) has the molecular formula C2FIO3 and a molecular weight of 217.92 g/mol. Its IUPAC name is iodo 2-fluoro-2-oxoacetate.

Molecular Properties

Compound Nameiodo 2-fluoro-2-oxoacetate
PubChem CID175208128
Molecular FormulaC2FIO3
Molecular Weight217.92 g/mol
Exact Mass217.89
IUPAC Nameiodo 2-fluoro-2-oxoacetate
SMILESO=C(F)C(=O)OI
InChIInChI=1S/C2FIO3/c3-1(5)2(6)7-4
InChIKeyHRPCOLPGEVOQOI-UHFFFAOYSA-N
XLogP0.38
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.92
LogP ≤ 50.38
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': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of iodo 2-fluoro-2-oxoacetate?
The IUPAC name of iodo 2-fluoro-2-oxoacetate (CID 175208128) is iodo 2-fluoro-2-oxoacetate.
What is the SMILES notation for iodo 2-fluoro-2-oxoacetate?
The canonical SMILES for iodo 2-fluoro-2-oxoacetate is O=C(F)C(=O)OI.
What is the InChIKey of iodo 2-fluoro-2-oxoacetate?
The InChIKey is HRPCOLPGEVOQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2FIO3/c3-1(5)2(6)7-4.
What are the key properties of iodo 2-fluoro-2-oxoacetate?
iodo 2-fluoro-2-oxoacetate has a molecular weight of 217.92 g/mol, XLogP of 0.38, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for iodo 2-fluoro-2-oxoacetate is sourced from PubChem (CID 175208128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).