fluoro 2-fluoro-2-oxoacetate

C2F2O3 — CID 156697099

IUPACfluoro 2-fluoro-2-oxoacetate
SMILESO=C(F)C(=O)OF
InChIInChI=1S/C2F2O3/c3-1(5)2(6)7-4
InChIKeyPRWDRLQEUFERCX-UHFFFAOYSA-N
MW110.01 g/mol
LogP-0.09
Rot. Bonds1

About fluoro 2-fluoro-2-oxoacetate

fluoro 2-fluoro-2-oxoacetate (PubChem CID 156697099) has the molecular formula C2F2O3 and a molecular weight of 110.01 g/mol. Its IUPAC name is fluoro 2-fluoro-2-oxoacetate.

Molecular Properties

Compound Namefluoro 2-fluoro-2-oxoacetate
PubChem CID156697099
Molecular FormulaC2F2O3
Molecular Weight110.01 g/mol
Exact Mass109.98
IUPAC Namefluoro 2-fluoro-2-oxoacetate
SMILESO=C(F)C(=O)OF
InChIInChI=1S/C2F2O3/c3-1(5)2(6)7-4
InChIKeyPRWDRLQEUFERCX-UHFFFAOYSA-N
XLogP-0.09
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.01
LogP ≤ 5-0.09
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'}

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-fluoro-2-oxoacetate?
The IUPAC name of fluoro 2-fluoro-2-oxoacetate (CID 156697099) is fluoro 2-fluoro-2-oxoacetate.
What is the SMILES notation for fluoro 2-fluoro-2-oxoacetate?
The canonical SMILES for fluoro 2-fluoro-2-oxoacetate is O=C(F)C(=O)OF.
What is the InChIKey of fluoro 2-fluoro-2-oxoacetate?
The InChIKey is PRWDRLQEUFERCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C2F2O3/c3-1(5)2(6)7-4.
What are the key properties of fluoro 2-fluoro-2-oxoacetate?
fluoro 2-fluoro-2-oxoacetate has a molecular weight of 110.01 g/mol, XLogP of -0.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-fluoro-2-oxoacetate is sourced from PubChem (CID 156697099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).