1-fluoropropane-1-sulfonic acid

C3H7FO3S — CID 19070317

IUPAC1-fluoropropane-1-sulfonic acid
SMILESCCC(F)S(=O)(=O)O
InChIInChI=1S/C3H7FO3S/c1-2-3(4)8(5,6)7/h3H,2H2,1H3,(H,5,6,7)
InChIKeyZGBXGJRNBAEUEQ-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.58
Rot. Bonds2

About 1-fluoropropane-1-sulfonic acid

1-fluoropropane-1-sulfonic acid (PubChem CID 19070317) has the molecular formula C3H7FO3S and a molecular weight of 142.15 g/mol. Its IUPAC name is 1-fluoropropane-1-sulfonic acid.

Molecular Properties

Compound Name1-fluoropropane-1-sulfonic acid
PubChem CID19070317
Molecular FormulaC3H7FO3S
Molecular Weight142.15 g/mol
Exact Mass142.01
IUPAC Name1-fluoropropane-1-sulfonic acid
SMILESCCC(F)S(=O)(=O)O
InChIInChI=1S/C3H7FO3S/c1-2-3(4)8(5,6)7/h3H,2H2,1H3,(H,5,6,7)
InChIKeyZGBXGJRNBAEUEQ-UHFFFAOYSA-N
XLogP0.58
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-fluoropropane-1-sulfonic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-fluoropropane-1-sulfonic acid?
The IUPAC name of 1-fluoropropane-1-sulfonic acid (CID 19070317) is 1-fluoropropane-1-sulfonic acid.
What is the SMILES notation for 1-fluoropropane-1-sulfonic acid?
The canonical SMILES for 1-fluoropropane-1-sulfonic acid is CCC(F)S(=O)(=O)O.
What is the InChIKey of 1-fluoropropane-1-sulfonic acid?
The InChIKey is ZGBXGJRNBAEUEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO3S/c1-2-3(4)8(5,6)7/h3H,2H2,1H3,(H,5,6,7).
What are the key properties of 1-fluoropropane-1-sulfonic acid?
1-fluoropropane-1-sulfonic acid has a molecular weight of 142.15 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoropropane-1-sulfonic acid is sourced from PubChem (CID 19070317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).