(2S)-2-(fluoromethyl)-1,2,3,6-tetrahydropyridine

C6H10FN — CID 174453260

IUPAC(2S)-2-(fluoromethyl)-1,2,3,6-tetrahydropyridine
SMILESFC[C@@H]1CC=CCN1
InChIInChI=1S/C6H10FN/c7-5-6-3-1-2-4-8-6/h1-2,6,8H,3-5H2/t6-/m0/s1
InChIKeyAHCZVESUZOOGSX-LURJTMIESA-N
MW115.15 g/mol
LogP0.87
Rot. Bonds1

About (2S)-2-(fluoromethyl)-1,2,3,6-tetrahydropyridine

(2S)-2-(fluoromethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 174453260) has the molecular formula C6H10FN and a molecular weight of 115.15 g/mol. Its IUPAC name is (2S)-2-(fluoromethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name(2S)-2-(fluoromethyl)-1,2,3,6-tetrahydropyridine
PubChem CID174453260
Molecular FormulaC6H10FN
Molecular Weight115.15 g/mol
Exact Mass115.08
IUPAC Name(2S)-2-(fluoromethyl)-1,2,3,6-tetrahydropyridine
SMILESFC[C@@H]1CC=CCN1
InChIInChI=1S/C6H10FN/c7-5-6-3-1-2-4-8-6/h1-2,6,8H,3-5H2/t6-/m0/s1
InChIKeyAHCZVESUZOOGSX-LURJTMIESA-N
XLogP0.87
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500115.15
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2S)-2-(fluoromethyl)-1,2,3,6-tetrahydropyridine 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 (2S)-2-(fluoromethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of (2S)-2-(fluoromethyl)-1,2,3,6-tetrahydropyridine (CID 174453260) is (2S)-2-(fluoromethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for (2S)-2-(fluoromethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for (2S)-2-(fluoromethyl)-1,2,3,6-tetrahydropyridine is FC[C@@H]1CC=CCN1.
What is the InChIKey of (2S)-2-(fluoromethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is AHCZVESUZOOGSX-LURJTMIESA-N. The full InChI is InChI=1S/C6H10FN/c7-5-6-3-1-2-4-8-6/h1-2,6,8H,3-5H2/t6-/m0/s1.
What are the key properties of (2S)-2-(fluoromethyl)-1,2,3,6-tetrahydropyridine?
(2S)-2-(fluoromethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 115.15 g/mol, XLogP of 0.87, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(fluoromethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 174453260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).