3-fluoropyrrolidine-1-sulfinate

C4H7FNO2S- — CID 152766774

IUPAC3-fluoropyrrolidine-1-sulfinate
SMILESO=S([O-])N1CCC(F)C1
InChIInChI=1S/C4H8FNO2S/c5-4-1-2-6(3-4)9(7)8/h4H,1-3H2,(H,7,8)/p-1
InChIKeyMUZDETFJNIFHRH-UHFFFAOYSA-M
MW152.17 g/mol
LogP-0.18
Rot. Bonds1

About 3-fluoropyrrolidine-1-sulfinate

3-fluoropyrrolidine-1-sulfinate (PubChem CID 152766774) has the molecular formula C4H7FNO2S- and a molecular weight of 152.17 g/mol. Its IUPAC name is 3-fluoropyrrolidine-1-sulfinate.

Molecular Properties

Compound Name3-fluoropyrrolidine-1-sulfinate
PubChem CID152766774
Molecular FormulaC4H7FNO2S-
Molecular Weight152.17 g/mol
Exact Mass152.02
IUPAC Name3-fluoropyrrolidine-1-sulfinate
SMILESO=S([O-])N1CCC(F)C1
InChIInChI=1S/C4H8FNO2S/c5-4-1-2-6(3-4)9(7)8/h4H,1-3H2,(H,7,8)/p-1
InChIKeyMUZDETFJNIFHRH-UHFFFAOYSA-M
XLogP-0.18
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.17
LogP ≤ 5-0.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-fluoropyrrolidine-1-sulfinate 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 3-fluoropyrrolidine-1-sulfinate?
The IUPAC name of 3-fluoropyrrolidine-1-sulfinate (CID 152766774) is 3-fluoropyrrolidine-1-sulfinate.
What is the SMILES notation for 3-fluoropyrrolidine-1-sulfinate?
The canonical SMILES for 3-fluoropyrrolidine-1-sulfinate is O=S([O-])N1CCC(F)C1.
What is the InChIKey of 3-fluoropyrrolidine-1-sulfinate?
The InChIKey is MUZDETFJNIFHRH-UHFFFAOYSA-M. The full InChI is InChI=1S/C4H8FNO2S/c5-4-1-2-6(3-4)9(7)8/h4H,1-3H2,(H,7,8)/p-1.
What are the key properties of 3-fluoropyrrolidine-1-sulfinate?
3-fluoropyrrolidine-1-sulfinate has a molecular weight of 152.17 g/mol, XLogP of -0.18, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoropyrrolidine-1-sulfinate is sourced from PubChem (CID 152766774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).