1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine

C13H16FN — CID 117205582

IUPAC1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFCC1=CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H16FN/c14-9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12/h1-3,5-7H,4,8-11H2
InChIKeyNJJNVTFYUFZATQ-UHFFFAOYSA-N
MW205.28 g/mol
LogP2.79
Rot. Bonds3

About 1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine

1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine (PubChem CID 117205582) has the molecular formula C13H16FN and a molecular weight of 205.28 g/mol. Its IUPAC name is 1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine
PubChem CID117205582
Molecular FormulaC13H16FN
Molecular Weight205.28 g/mol
Exact Mass205.13
IUPAC Name1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine
SMILESFCC1=CCCN(Cc2ccccc2)C1
InChIInChI=1S/C13H16FN/c14-9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12/h1-3,5-7H,4,8-11H2
InChIKeyNJJNVTFYUFZATQ-UHFFFAOYSA-N
XLogP2.79
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.28
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)propan-1-amine
CID 117205892
1-[(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)methyl]piperazine
CID 117206009
N-[2-(1-benzyl-3,6-dihydro-2H-pyridin-5-yl)ethyl]cyclopropanamine
CID 117205656
1-benzyl-5-[(4-fluoro-2-methylphenoxy)methyl]-3,6-dihydro-2H-pyridine
CID 139679454
1-benzyl-5-(4-chlorophenyl)-3,6-dihydro-2H-pyridine
CID 141269608
1-benzyl-5-(3-fluorophenyl)-3,6-dihydro-2H-pyridine
CID 19095580
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
1-benzyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,6-dihydro-2H-pyridine;hydrochloride
CID 155920966
3,7,11-tribenzyl-3,7,11-triazabicyclo[11.2.2]heptadeca-1(15),13,16-triene
CID 101181237
dichlorocopper;1,4,7-tribenzyl-1,4,7-triazonane
CID 11307142
1-benzylazepane
CID 10954328
bis(copper(1+));bis(hexafluoroantimony(1-));hydrogen peroxide;bis(1,4,7-tribenzyl-1,4,7-triazonane)
CID 16687390

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine (CID 117205582) is 1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine is FCC1=CCCN(Cc2ccccc2)C1.
What is the InChIKey of 1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is NJJNVTFYUFZATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN/c14-9-13-7-4-8-15(11-13)10-12-5-2-1-3-6-12/h1-3,5-7H,4,8-11H2.
What are the key properties of 1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine?
1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 205.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(fluoromethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 117205582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).