4,4-difluoro-2-(methylsulfanylmethyl)pyrrolidine

C6H11F2NS — CID 105433517

IUPAC4,4-difluoro-2-(methylsulfanylmethyl)pyrrolidine
SMILESCSCC1CC(F)(F)CN1
InChIInChI=1S/C6H11F2NS/c1-10-3-5-2-6(7,8)4-9-5/h5,9H,2-4H2,1H3
InChIKeyARHZJGFLFGQOCW-UHFFFAOYSA-N
MW167.22 g/mol
LogP1.35
Rot. Bonds2

About 4,4-difluoro-2-(methylsulfanylmethyl)pyrrolidine

4,4-difluoro-2-(methylsulfanylmethyl)pyrrolidine (PubChem CID 105433517) has the molecular formula C6H11F2NS and a molecular weight of 167.22 g/mol. Its IUPAC name is 4,4-difluoro-2-(methylsulfanylmethyl)pyrrolidine.

Molecular Properties

Compound Name4,4-difluoro-2-(methylsulfanylmethyl)pyrrolidine
PubChem CID105433517
Molecular FormulaC6H11F2NS
Molecular Weight167.22 g/mol
Exact Mass167.06
IUPAC Name4,4-difluoro-2-(methylsulfanylmethyl)pyrrolidine
SMILESCSCC1CC(F)(F)CN1
InChIInChI=1S/C6H11F2NS/c1-10-3-5-2-6(7,8)4-9-5/h5,9H,2-4H2,1H3
InChIKeyARHZJGFLFGQOCW-UHFFFAOYSA-N
XLogP1.35
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.22
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-difluoro-2-(methylsulfanylmethyl)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 4,4-difluoro-2-(methylsulfanylmethyl)pyrrolidine?
The IUPAC name of 4,4-difluoro-2-(methylsulfanylmethyl)pyrrolidine (CID 105433517) is 4,4-difluoro-2-(methylsulfanylmethyl)pyrrolidine.
What is the SMILES notation for 4,4-difluoro-2-(methylsulfanylmethyl)pyrrolidine?
The canonical SMILES for 4,4-difluoro-2-(methylsulfanylmethyl)pyrrolidine is CSCC1CC(F)(F)CN1.
What is the InChIKey of 4,4-difluoro-2-(methylsulfanylmethyl)pyrrolidine?
The InChIKey is ARHZJGFLFGQOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NS/c1-10-3-5-2-6(7,8)4-9-5/h5,9H,2-4H2,1H3.
What are the key properties of 4,4-difluoro-2-(methylsulfanylmethyl)pyrrolidine?
4,4-difluoro-2-(methylsulfanylmethyl)pyrrolidine has a molecular weight of 167.22 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-2-(methylsulfanylmethyl)pyrrolidine is sourced from PubChem (CID 105433517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).