3-(fluoromethyl)-5-methylsulfanylpiperidine

C7H14FNS — CID 167133112

IUPAC3-(fluoromethyl)-5-methylsulfanylpiperidine
SMILESCSC1CNCC(CF)C1
InChIInChI=1S/C7H14FNS/c1-10-7-2-6(3-8)4-9-5-7/h6-7,9H,2-5H2,1H3
InChIKeyCIEYXDXYUBLTFQ-UHFFFAOYSA-N
MW163.26 g/mol
LogP1.30
Rot. Bonds2

About 3-(fluoromethyl)-5-methylsulfanylpiperidine

3-(fluoromethyl)-5-methylsulfanylpiperidine (PubChem CID 167133112) has the molecular formula C7H14FNS and a molecular weight of 163.26 g/mol. Its IUPAC name is 3-(fluoromethyl)-5-methylsulfanylpiperidine.

Molecular Properties

Compound Name3-(fluoromethyl)-5-methylsulfanylpiperidine
PubChem CID167133112
Molecular FormulaC7H14FNS
Molecular Weight163.26 g/mol
Exact Mass163.08
IUPAC Name3-(fluoromethyl)-5-methylsulfanylpiperidine
SMILESCSC1CNCC(CF)C1
InChIInChI=1S/C7H14FNS/c1-10-7-2-6(3-8)4-9-5-7/h6-7,9H,2-5H2,1H3
InChIKeyCIEYXDXYUBLTFQ-UHFFFAOYSA-N
XLogP1.30
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.26
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(fluoromethyl)-5-methylsulfanylpiperidine 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-(fluoromethyl)-5-methylsulfanylpiperidine?
The IUPAC name of 3-(fluoromethyl)-5-methylsulfanylpiperidine (CID 167133112) is 3-(fluoromethyl)-5-methylsulfanylpiperidine.
What is the SMILES notation for 3-(fluoromethyl)-5-methylsulfanylpiperidine?
The canonical SMILES for 3-(fluoromethyl)-5-methylsulfanylpiperidine is CSC1CNCC(CF)C1.
What is the InChIKey of 3-(fluoromethyl)-5-methylsulfanylpiperidine?
The InChIKey is CIEYXDXYUBLTFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14FNS/c1-10-7-2-6(3-8)4-9-5-7/h6-7,9H,2-5H2,1H3.
What are the key properties of 3-(fluoromethyl)-5-methylsulfanylpiperidine?
3-(fluoromethyl)-5-methylsulfanylpiperidine has a molecular weight of 163.26 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(fluoromethyl)-5-methylsulfanylpiperidine is sourced from PubChem (CID 167133112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).