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

C3H3F5O3S — CID 18462059

IUPAC1,1,2,2,3-pentafluoropropane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)CF
InChIInChI=1S/C3H3F5O3S/c4-1-2(5,6)3(7,8)12(9,10)11/h1H2,(H,9,10,11)
InChIKeyHQBMPGJZJPMOTD-UHFFFAOYSA-N
MW214.11 g/mol
LogP1.07
Rot. Bonds3

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

1,1,2,2,3-pentafluoropropane-1-sulfonic acid (PubChem CID 18462059) has the molecular formula C3H3F5O3S and a molecular weight of 214.11 g/mol. Its IUPAC name is 1,1,2,2,3-pentafluoropropane-1-sulfonic acid.

Molecular Properties

Compound Name1,1,2,2,3-pentafluoropropane-1-sulfonic acid
PubChem CID18462059
Molecular FormulaC3H3F5O3S
Molecular Weight214.11 g/mol
Exact Mass213.97
IUPAC Name1,1,2,2,3-pentafluoropropane-1-sulfonic acid
SMILESO=S(=O)(O)C(F)(F)C(F)(F)CF
InChIInChI=1S/C3H3F5O3S/c4-1-2(5,6)3(7,8)12(9,10)11/h1H2,(H,9,10,11)
InChIKeyHQBMPGJZJPMOTD-UHFFFAOYSA-N
XLogP1.07
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
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 1,1,2,2,3-pentafluoropropane-1-sulfonic acid?
The IUPAC name of 1,1,2,2,3-pentafluoropropane-1-sulfonic acid (CID 18462059) is 1,1,2,2,3-pentafluoropropane-1-sulfonic acid.
What is the SMILES notation for 1,1,2,2,3-pentafluoropropane-1-sulfonic acid?
The canonical SMILES for 1,1,2,2,3-pentafluoropropane-1-sulfonic acid is O=S(=O)(O)C(F)(F)C(F)(F)CF.
What is the InChIKey of 1,1,2,2,3-pentafluoropropane-1-sulfonic acid?
The InChIKey is HQBMPGJZJPMOTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H3F5O3S/c4-1-2(5,6)3(7,8)12(9,10)11/h1H2,(H,9,10,11).
What are the key properties of 1,1,2,2,3-pentafluoropropane-1-sulfonic acid?
1,1,2,2,3-pentafluoropropane-1-sulfonic acid has a molecular weight of 214.11 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2,2,3-pentafluoropropane-1-sulfonic acid is sourced from PubChem (CID 18462059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).