2,2,3,3,3-pentafluoropropane-1-sulfonic acid

C3H3F5O3S — CID 18991895

IUPAC2,2,3,3,3-pentafluoropropane-1-sulfonic acid
SMILESO=S(=O)(O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C3H3F5O3S/c4-2(5,3(6,7)8)1-12(9,10)11/h1H2,(H,9,10,11)
InChIKeyOPDDDUPHXZCZJD-UHFFFAOYSA-N
MW214.11 g/mol
LogP1.07
Rot. Bonds2

About 2,2,3,3,3-pentafluoropropane-1-sulfonic acid

2,2,3,3,3-pentafluoropropane-1-sulfonic acid (PubChem CID 18991895) has the molecular formula C3H3F5O3S and a molecular weight of 214.11 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoropropane-1-sulfonic acid.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoropropane-1-sulfonic acid
PubChem CID18991895
Molecular FormulaC3H3F5O3S
Molecular Weight214.11 g/mol
Exact Mass213.97
IUPAC Name2,2,3,3,3-pentafluoropropane-1-sulfonic acid
SMILESO=S(=O)(O)CC(F)(F)C(F)(F)F
InChIInChI=1S/C3H3F5O3S/c4-2(5,3(6,7)8)1-12(9,10)11/h1H2,(H,9,10,11)
InChIKeyOPDDDUPHXZCZJD-UHFFFAOYSA-N
XLogP1.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.11
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoropropane-1-sulfonic acid?
The IUPAC name of 2,2,3,3,3-pentafluoropropane-1-sulfonic acid (CID 18991895) is 2,2,3,3,3-pentafluoropropane-1-sulfonic acid.
What is the SMILES notation for 2,2,3,3,3-pentafluoropropane-1-sulfonic acid?
The canonical SMILES for 2,2,3,3,3-pentafluoropropane-1-sulfonic acid is O=S(=O)(O)CC(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoropropane-1-sulfonic acid?
The InChIKey is OPDDDUPHXZCZJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O3S/c4-2(5,3(6,7)8)1-12(9,10)11/h1H2,(H,9,10,11).
What are the key properties of 2,2,3,3,3-pentafluoropropane-1-sulfonic acid?
2,2,3,3,3-pentafluoropropane-1-sulfonic acid has a molecular weight of 214.11 g/mol, XLogP of 1.07, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoropropane-1-sulfonic acid is sourced from PubChem (CID 18991895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).