2,2,3,3-tetrafluoro-3-fluorosulfonylpropanoic acid

C3HF5O4S — CID 19021139

IUPAC2,2,3,3-tetrafluoro-3-fluorosulfonylpropanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C3HF5O4S/c4-2(5,1(9)10)3(6,7)13(8,11)12/h(H,9,10)
InChIKeyIPTDYTXDPGTZKS-UHFFFAOYSA-N
MW228.09 g/mol
LogP0.60
Rot. Bonds3

About 2,2,3,3-tetrafluoro-3-fluorosulfonylpropanoic acid

2,2,3,3-tetrafluoro-3-fluorosulfonylpropanoic acid (PubChem CID 19021139) has the molecular formula C3HF5O4S and a molecular weight of 228.09 g/mol. Its IUPAC name is 2,2,3,3-tetrafluoro-3-fluorosulfonylpropanoic acid.

Molecular Properties

Compound Name2,2,3,3-tetrafluoro-3-fluorosulfonylpropanoic acid
PubChem CID19021139
Molecular FormulaC3HF5O4S
Molecular Weight228.09 g/mol
Exact Mass227.95
IUPAC Name2,2,3,3-tetrafluoro-3-fluorosulfonylpropanoic acid
SMILESO=C(O)C(F)(F)C(F)(F)S(=O)(=O)F
InChIInChI=1S/C3HF5O4S/c4-2(5,1(9)10)3(6,7)13(8,11)12/h(H,9,10)
InChIKeyIPTDYTXDPGTZKS-UHFFFAOYSA-N
XLogP0.60
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.09
LogP ≤ 50.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-fluorosulfonylpropanoic acid?
The IUPAC name of 2,2,3,3-tetrafluoro-3-fluorosulfonylpropanoic acid (CID 19021139) is 2,2,3,3-tetrafluoro-3-fluorosulfonylpropanoic acid.
What is the SMILES notation for 2,2,3,3-tetrafluoro-3-fluorosulfonylpropanoic acid?
The canonical SMILES for 2,2,3,3-tetrafluoro-3-fluorosulfonylpropanoic acid is O=C(O)C(F)(F)C(F)(F)S(=O)(=O)F.
What is the InChIKey of 2,2,3,3-tetrafluoro-3-fluorosulfonylpropanoic acid?
The InChIKey is IPTDYTXDPGTZKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3HF5O4S/c4-2(5,1(9)10)3(6,7)13(8,11)12/h(H,9,10).
What are the key properties of 2,2,3,3-tetrafluoro-3-fluorosulfonylpropanoic acid?
2,2,3,3-tetrafluoro-3-fluorosulfonylpropanoic acid has a molecular weight of 228.09 g/mol, XLogP of 0.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3-tetrafluoro-3-fluorosulfonylpropanoic acid is sourced from PubChem (CID 19021139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).