3-fluoro-3-(thian-4-yl)pyrrolidine

C9H16FNS — CID 83817907

IUPAC3-fluoro-3-(thian-4-yl)pyrrolidine
SMILESFC1(C2CCSCC2)CCNC1
InChIInChI=1S/C9H16FNS/c10-9(3-4-11-7-9)8-1-5-12-6-2-8/h8,11H,1-7H2
InChIKeyFSKTUOAWJAOLDV-UHFFFAOYSA-N
MW189.30 g/mol
LogP1.83
Rot. Bonds1

About 3-fluoro-3-(thian-4-yl)pyrrolidine

3-fluoro-3-(thian-4-yl)pyrrolidine (PubChem CID 83817907) has the molecular formula C9H16FNS and a molecular weight of 189.30 g/mol. Its IUPAC name is 3-fluoro-3-(thian-4-yl)pyrrolidine.

Molecular Properties

Compound Name3-fluoro-3-(thian-4-yl)pyrrolidine
PubChem CID83817907
Molecular FormulaC9H16FNS
Molecular Weight189.30 g/mol
Exact Mass189.10
IUPAC Name3-fluoro-3-(thian-4-yl)pyrrolidine
SMILESFC1(C2CCSCC2)CCNC1
InChIInChI=1S/C9H16FNS/c10-9(3-4-11-7-9)8-1-5-12-6-2-8/h8,11H,1-7H2
InChIKeyFSKTUOAWJAOLDV-UHFFFAOYSA-N
XLogP1.83
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.30
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-fluoro-3-(thian-4-yl)pyrrolidine 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-3-(thian-4-yl)pyrrolidine?
The IUPAC name of 3-fluoro-3-(thian-4-yl)pyrrolidine (CID 83817907) is 3-fluoro-3-(thian-4-yl)pyrrolidine.
What is the SMILES notation for 3-fluoro-3-(thian-4-yl)pyrrolidine?
The canonical SMILES for 3-fluoro-3-(thian-4-yl)pyrrolidine is FC1(C2CCSCC2)CCNC1.
What is the InChIKey of 3-fluoro-3-(thian-4-yl)pyrrolidine?
The InChIKey is FSKTUOAWJAOLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FNS/c10-9(3-4-11-7-9)8-1-5-12-6-2-8/h8,11H,1-7H2.
What are the key properties of 3-fluoro-3-(thian-4-yl)pyrrolidine?
3-fluoro-3-(thian-4-yl)pyrrolidine has a molecular weight of 189.30 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-3-(thian-4-yl)pyrrolidine is sourced from PubChem (CID 83817907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).