1-fluorooxy-1-oxopropane-2-sulfinate

C3H4FO4S- — CID 174959450

IUPAC1-fluorooxy-1-oxopropane-2-sulfinate
SMILESCC(C(=O)OF)S(=O)[O-]
InChIInChI=1S/C3H5FO4S/c1-2(9(6)7)3(5)8-4/h2H,1H3,(H,6,7)/p-1
InChIKeyTVQYGOXFZXYIGL-UHFFFAOYSA-M
MW155.13 g/mol
LogP-0.32
Rot. Bonds2

About 1-fluorooxy-1-oxopropane-2-sulfinate

1-fluorooxy-1-oxopropane-2-sulfinate (PubChem CID 174959450) has the molecular formula C3H4FO4S- and a molecular weight of 155.13 g/mol. Its IUPAC name is 1-fluorooxy-1-oxopropane-2-sulfinate.

Molecular Properties

Compound Name1-fluorooxy-1-oxopropane-2-sulfinate
PubChem CID174959450
Molecular FormulaC3H4FO4S-
Molecular Weight155.13 g/mol
Exact Mass154.98
IUPAC Name1-fluorooxy-1-oxopropane-2-sulfinate
SMILESCC(C(=O)OF)S(=O)[O-]
InChIInChI=1S/C3H5FO4S/c1-2(9(6)7)3(5)8-4/h2H,1H3,(H,6,7)/p-1
InChIKeyTVQYGOXFZXYIGL-UHFFFAOYSA-M
XLogP-0.32
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.13
LogP ≤ 5-0.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfinic_acid', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-fluorooxy-1-oxopropane-2-sulfinate?
The IUPAC name of 1-fluorooxy-1-oxopropane-2-sulfinate (CID 174959450) is 1-fluorooxy-1-oxopropane-2-sulfinate.
What is the SMILES notation for 1-fluorooxy-1-oxopropane-2-sulfinate?
The canonical SMILES for 1-fluorooxy-1-oxopropane-2-sulfinate is CC(C(=O)OF)S(=O)[O-].
What is the InChIKey of 1-fluorooxy-1-oxopropane-2-sulfinate?
The InChIKey is TVQYGOXFZXYIGL-UHFFFAOYSA-M. The full InChI is InChI=1S/C3H5FO4S/c1-2(9(6)7)3(5)8-4/h2H,1H3,(H,6,7)/p-1.
What are the key properties of 1-fluorooxy-1-oxopropane-2-sulfinate?
1-fluorooxy-1-oxopropane-2-sulfinate has a molecular weight of 155.13 g/mol, XLogP of -0.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorooxy-1-oxopropane-2-sulfinate is sourced from PubChem (CID 174959450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).