1,1,1,2-tetrafluoro-3-oxopropane-2-sulfonic acid

C3H2F4O4S — CID 147494707

IUPAC1,1,1,2-tetrafluoro-3-oxopropane-2-sulfonic acid
SMILESO=CC(F)(C(F)(F)F)S(=O)(=O)O
InChIInChI=1S/C3H2F4O4S/c4-2(1-8,3(5,6)7)12(9,10)11/h1H,(H,9,10,11)
InChIKeyFGFGLXZGRGOYCN-UHFFFAOYSA-N
MW210.10 g/mol
LogP0.30
Rot. Bonds2

About 1,1,1,2-tetrafluoro-3-oxopropane-2-sulfonic acid

1,1,1,2-tetrafluoro-3-oxopropane-2-sulfonic acid (PubChem CID 147494707) has the molecular formula C3H2F4O4S and a molecular weight of 210.10 g/mol. Its IUPAC name is 1,1,1,2-tetrafluoro-3-oxopropane-2-sulfonic acid.

Molecular Properties

Compound Name1,1,1,2-tetrafluoro-3-oxopropane-2-sulfonic acid
PubChem CID147494707
Molecular FormulaC3H2F4O4S
Molecular Weight210.10 g/mol
Exact Mass209.96
IUPAC Name1,1,1,2-tetrafluoro-3-oxopropane-2-sulfonic acid
SMILESO=CC(F)(C(F)(F)F)S(=O)(=O)O
InChIInChI=1S/C3H2F4O4S/c4-2(1-8,3(5,6)7)12(9,10)11/h1H,(H,9,10,11)
InChIKeyFGFGLXZGRGOYCN-UHFFFAOYSA-N
XLogP0.30
TPSA71.44 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.10
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

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osmium;bis(trifluoromethanesulfonic acid)
CID 174919112
trifluoromethanesulfonic acid;hydrofluoride
CID 87139590
lithium;hydride;1,1,2,2,2-pentafluoroethanesulfonic acid
CID 173036129
azane;osmium;tris(trifluoromethanesulfonic acid)
CID 85298772
bis(trifluoromethanesulfonic acid);zinc;hydrate
CID 175736701
strontium;hydride;trifluoromethanesulfonic acid
CID 173218356
hafnium;trifluoromethanesulfonic acid;hydrate
CID 174756468
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-docosafluorodecane;trifluoromethanesulfonic acid
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Frequently Asked Questions

What is the IUPAC name of 1,1,1,2-tetrafluoro-3-oxopropane-2-sulfonic acid?
The IUPAC name of 1,1,1,2-tetrafluoro-3-oxopropane-2-sulfonic acid (CID 147494707) is 1,1,1,2-tetrafluoro-3-oxopropane-2-sulfonic acid.
What is the SMILES notation for 1,1,1,2-tetrafluoro-3-oxopropane-2-sulfonic acid?
The canonical SMILES for 1,1,1,2-tetrafluoro-3-oxopropane-2-sulfonic acid is O=CC(F)(C(F)(F)F)S(=O)(=O)O.
What is the InChIKey of 1,1,1,2-tetrafluoro-3-oxopropane-2-sulfonic acid?
The InChIKey is FGFGLXZGRGOYCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2F4O4S/c4-2(1-8,3(5,6)7)12(9,10)11/h1H,(H,9,10,11).
What are the key properties of 1,1,1,2-tetrafluoro-3-oxopropane-2-sulfonic acid?
1,1,1,2-tetrafluoro-3-oxopropane-2-sulfonic acid has a molecular weight of 210.10 g/mol, XLogP of 0.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,2-tetrafluoro-3-oxopropane-2-sulfonic acid is sourced from PubChem (CID 147494707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).