3-fluoro-1-(oxetan-3-yl)azetidine-3-thiol

C6H10FNOS — CID 156518547

IUPAC3-fluoro-1-(oxetan-3-yl)azetidine-3-thiol
SMILESFC1(S)CN(C2COC2)C1
InChIInChI=1S/C6H10FNOS/c7-6(10)3-8(4-6)5-1-9-2-5/h5,10H,1-4H2
InChIKeyLGAYVZBWDRMEIC-UHFFFAOYSA-N
MW163.22 g/mol
LogP0.30
Rot. Bonds1

About 3-fluoro-1-(oxetan-3-yl)azetidine-3-thiol

3-fluoro-1-(oxetan-3-yl)azetidine-3-thiol (PubChem CID 156518547) has the molecular formula C6H10FNOS and a molecular weight of 163.22 g/mol. Its IUPAC name is 3-fluoro-1-(oxetan-3-yl)azetidine-3-thiol.

Molecular Properties

Compound Name3-fluoro-1-(oxetan-3-yl)azetidine-3-thiol
PubChem CID156518547
Molecular FormulaC6H10FNOS
Molecular Weight163.22 g/mol
Exact Mass163.05
IUPAC Name3-fluoro-1-(oxetan-3-yl)azetidine-3-thiol
SMILESFC1(S)CN(C2COC2)C1
InChIInChI=1S/C6H10FNOS/c7-6(10)3-8(4-6)5-1-9-2-5/h5,10H,1-4H2
InChIKeyLGAYVZBWDRMEIC-UHFFFAOYSA-N
XLogP0.30
TPSA12.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.22
LogP ≤ 50.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-1-(oxetan-3-yl)azetidine-3-thiol 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-fluoro-1-(oxetan-3-yl)azetidine-3-thiol?
The IUPAC name of 3-fluoro-1-(oxetan-3-yl)azetidine-3-thiol (CID 156518547) is 3-fluoro-1-(oxetan-3-yl)azetidine-3-thiol.
What is the SMILES notation for 3-fluoro-1-(oxetan-3-yl)azetidine-3-thiol?
The canonical SMILES for 3-fluoro-1-(oxetan-3-yl)azetidine-3-thiol is FC1(S)CN(C2COC2)C1.
What is the InChIKey of 3-fluoro-1-(oxetan-3-yl)azetidine-3-thiol?
The InChIKey is LGAYVZBWDRMEIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10FNOS/c7-6(10)3-8(4-6)5-1-9-2-5/h5,10H,1-4H2.
What are the key properties of 3-fluoro-1-(oxetan-3-yl)azetidine-3-thiol?
3-fluoro-1-(oxetan-3-yl)azetidine-3-thiol has a molecular weight of 163.22 g/mol, XLogP of 0.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-(oxetan-3-yl)azetidine-3-thiol is sourced from PubChem (CID 156518547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).