2,2,3,3-tetrafluoro-3-fluorooxysulfonylpropanoic acid

C3HF5O5S — CID 88728147

IUPAC2,2,3,3-tetrafluoro-3-fluorooxysulfonylpropanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)S(=O)(=O)OF
InChIInChI=1S/C3HF5O5S/c4-2(5,1(9)10)3(6,7)14(11,12)13-8/h(H,9,10)
InChIKeyDKWZQHBBJIVHNA-UHFFFAOYSA-N
MW244.09 g/mol
LogP0.53
Rot. Bonds4

About 2,2,3,3-tetrafluoro-3-fluorooxysulfonylpropanoic acid

2,2,3,3-tetrafluoro-3-fluorooxysulfonylpropanoic acid (PubChem CID 88728147) has the molecular formula C3HF5O5S and a molecular weight of 244.09 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-3-fluorooxysulfonylpropanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-3-fluorooxysulfonylpropanoic acid
PubChem CID88728147
Molecular FormulaC3HF5O5S
Molecular Weight244.09 g/mol
Exact Mass243.95
IUPAC Name2,2,3,3-tetrafluoro-3-fluorooxysulfonylpropanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)S(=O)(=O)OF
InChIInChI=1S/C3HF5O5S/c4-2(5,1(9)10)3(6,7)14(11,12)13-8/h(H,9,10)
InChIKeyDKWZQHBBJIVHNA-UHFFFAOYSA-N
XLogP0.53
TPSA80.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.09
LogP ≤ 50.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3-tetrafluoro-3-fluorooxysulfonylpropanoic acid?
The IUPAC name of 2,2,3,3-tetrafluoro-3-fluorooxysulfonylpropanoic acid (CID 88728147) is 2,2,3,3-tetrafluoro-3-fluorooxysulfonylpropanoic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoro-3-fluorooxysulfonylpropanoic acid?
The canonical SMILES for 2,2,3,3-tetrafluoro-3-fluorooxysulfonylpropanoic acid is O=C(O)C(F)(F)C(F)(F)S(=O)(=O)OF.
What is the InChIKey of 2,2,3,3-tetrafluoro-3-fluorooxysulfonylpropanoic acid?
The InChIKey is DKWZQHBBJIVHNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF5O5S/c4-2(5,1(9)10)3(6,7)14(11,12)13-8/h(H,9,10).
What are the key properties of 2,2,3,3-tetrafluoro-3-fluorooxysulfonylpropanoic acid?
2,2,3,3-tetrafluoro-3-fluorooxysulfonylpropanoic acid has a molecular weight of 244.09 g/mol, XLogP of 0.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-3-fluorooxysulfonylpropanoic acid is sourced from PubChem (CID 88728147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).