3-fluoro-1-sulfanylpyrrolidine

C4H8FNS — CID 123394119

IUPAC3-fluoro-1-sulfanylpyrrolidine
SMILESFC1CCN(S)C1
InChIInChI=1S/C4H8FNS/c5-4-1-2-6(7)3-4/h4,7H,1-3H2
InChIKeyDSFKLMAXNBPNIZ-UHFFFAOYSA-N
MW121.18 g/mol
LogP0.88
Rot. Bonds

About 3-fluoro-1-sulfanylpyrrolidine

3-fluoro-1-sulfanylpyrrolidine (PubChem CID 123394119) has the molecular formula C4H8FNS and a molecular weight of 121.18 g/mol. Its IUPAC name is 3-fluoro-1-sulfanylpyrrolidine.

Molecular Properties

Compound Name3-fluoro-1-sulfanylpyrrolidine
PubChem CID123394119
Molecular FormulaC4H8FNS
Molecular Weight121.18 g/mol
Exact Mass121.04
IUPAC Name3-fluoro-1-sulfanylpyrrolidine
SMILESFC1CCN(S)C1
InChIInChI=1S/C4H8FNS/c5-4-1-2-6(7)3-4/h4,7H,1-3H2
InChIKeyDSFKLMAXNBPNIZ-UHFFFAOYSA-N
XLogP0.88
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500121.18
LogP ≤ 50.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-sulfanylpyrrolidine?
The IUPAC name of 3-fluoro-1-sulfanylpyrrolidine (CID 123394119) is 3-fluoro-1-sulfanylpyrrolidine.
What is the SMILES notation for 3-fluoro-1-sulfanylpyrrolidine?
The canonical SMILES for 3-fluoro-1-sulfanylpyrrolidine is FC1CCN(S)C1.
What is the InChIKey of 3-fluoro-1-sulfanylpyrrolidine?
The InChIKey is DSFKLMAXNBPNIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8FNS/c5-4-1-2-6(7)3-4/h4,7H,1-3H2.
What are the key properties of 3-fluoro-1-sulfanylpyrrolidine?
3-fluoro-1-sulfanylpyrrolidine has a molecular weight of 121.18 g/mol, XLogP of 0.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-sulfanylpyrrolidine is sourced from PubChem (CID 123394119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).