sulfanyl 2-fluoro-2-oxoacetate

C2HFO3S — CID 175072785

IUPACsulfanyl 2-fluoro-2-oxoacetate
SMILESO=C(F)C(=O)OS
InChIInChI=1S/C2HFO3S/c3-1(4)2(5)6-7/h7H
InChIKeyBPLCETGPIYVGAK-UHFFFAOYSA-N
MW124.09 g/mol
LogP-0.13
Rot. Bonds1

About sulfanyl 2-fluoro-2-oxoacetate

sulfanyl 2-fluoro-2-oxoacetate (PubChem CID 175072785) has the molecular formula C2HFO3S and a molecular weight of 124.09 g/mol. Its IUPAC name is sulfanyl 2-fluoro-2-oxoacetate.

Molecular Properties

Compound Namesulfanyl 2-fluoro-2-oxoacetate
PubChem CID175072785
Molecular FormulaC2HFO3S
Molecular Weight124.09 g/mol
Exact Mass123.96
IUPAC Namesulfanyl 2-fluoro-2-oxoacetate
SMILESO=C(F)C(=O)OS
InChIInChI=1S/C2HFO3S/c3-1(4)2(5)6-7/h7H
InChIKeyBPLCETGPIYVGAK-UHFFFAOYSA-N
XLogP-0.13
TPSA43.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.09
LogP ≤ 5-0.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'sulfur_oxygen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sulfanyl 2-fluoro-2-oxoacetate?
The IUPAC name of sulfanyl 2-fluoro-2-oxoacetate (CID 175072785) is sulfanyl 2-fluoro-2-oxoacetate.
What is the SMILES notation for sulfanyl 2-fluoro-2-oxoacetate?
The canonical SMILES for sulfanyl 2-fluoro-2-oxoacetate is O=C(F)C(=O)OS.
What is the InChIKey of sulfanyl 2-fluoro-2-oxoacetate?
The InChIKey is BPLCETGPIYVGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C2HFO3S/c3-1(4)2(5)6-7/h7H.
What are the key properties of sulfanyl 2-fluoro-2-oxoacetate?
sulfanyl 2-fluoro-2-oxoacetate has a molecular weight of 124.09 g/mol, XLogP of -0.13, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sulfanyl 2-fluoro-2-oxoacetate is sourced from PubChem (CID 175072785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).