2-(trifluoromethylsulfanylmethyl)piperidine

C7H12F3NS — CID 75406394

IUPAC2-(trifluoromethylsulfanylmethyl)piperidine
SMILESFC(F)(F)SCC1CCCCN1
InChIInChI=1S/C7H12F3NS/c8-7(9,10)12-5-6-3-1-2-4-11-6/h6,11H,1-5H2
InChIKeyKQWWXKNNXQPJLT-UHFFFAOYSA-N
MW199.24 g/mol
LogP2.38
Rot. Bonds2

About 2-(trifluoromethylsulfanylmethyl)piperidine

2-(trifluoromethylsulfanylmethyl)piperidine (PubChem CID 75406394) has the molecular formula C7H12F3NS and a molecular weight of 199.24 g/mol. Its IUPAC name is 2-(trifluoromethylsulfanylmethyl)piperidine.

Molecular Properties

Compound Name2-(trifluoromethylsulfanylmethyl)piperidine
PubChem CID75406394
Molecular FormulaC7H12F3NS
Molecular Weight199.24 g/mol
Exact Mass199.06
IUPAC Name2-(trifluoromethylsulfanylmethyl)piperidine
SMILESFC(F)(F)SCC1CCCCN1
InChIInChI=1S/C7H12F3NS/c8-7(9,10)12-5-6-3-1-2-4-11-6/h6,11H,1-5H2
InChIKeyKQWWXKNNXQPJLT-UHFFFAOYSA-N
XLogP2.38
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.24
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-(trifluoromethylsulfanylmethyl)piperidine 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 2-(trifluoromethylsulfanylmethyl)piperidine?
The IUPAC name of 2-(trifluoromethylsulfanylmethyl)piperidine (CID 75406394) is 2-(trifluoromethylsulfanylmethyl)piperidine.
What is the SMILES notation for 2-(trifluoromethylsulfanylmethyl)piperidine?
The canonical SMILES for 2-(trifluoromethylsulfanylmethyl)piperidine is FC(F)(F)SCC1CCCCN1.
What is the InChIKey of 2-(trifluoromethylsulfanylmethyl)piperidine?
The InChIKey is KQWWXKNNXQPJLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NS/c8-7(9,10)12-5-6-3-1-2-4-11-6/h6,11H,1-5H2.
What are the key properties of 2-(trifluoromethylsulfanylmethyl)piperidine?
2-(trifluoromethylsulfanylmethyl)piperidine has a molecular weight of 199.24 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethylsulfanylmethyl)piperidine is sourced from PubChem (CID 75406394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).