1-(2-fluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine

C9H16FN — CID 131085871

IUPAC1-(2-fluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(C)CN(CCF)CC1
InChIInChI=1S/C9H16FN/c1-8-3-5-11(6-4-10)7-9(8)2/h3-7H2,1-2H3
InChIKeyAIJOPCXTJXIRHP-UHFFFAOYSA-N
MW157.23 g/mol
LogP2.00
Rot. Bonds2

About 1-(2-fluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine

1-(2-fluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine (PubChem CID 131085871) has the molecular formula C9H16FN and a molecular weight of 157.23 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
PubChem CID131085871
Molecular FormulaC9H16FN
Molecular Weight157.23 g/mol
Exact Mass157.13
IUPAC Name1-(2-fluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(C)CN(CCF)CC1
InChIInChI=1S/C9H16FN/c1-8-3-5-11(6-4-10)7-9(8)2/h3-7H2,1-2H3
InChIKeyAIJOPCXTJXIRHP-UHFFFAOYSA-N
XLogP2.00
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.23
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 1-(2-fluoroethyl)-4,5-dimethyl-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

1,5-Diethyl-1,2,3,6-tetrahydropyridine
CID 641110
4-methyl-1-(3,3,3-trifluoropropyl)-3,6-dihydro-2H-pyridine
CID 69929361
1-(2-fluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 88589110
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
CID 89078466
5-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 89224797
(E)-N-ethyl-4-fluoro-N,3-dimethylpent-3-en-1-amine
CID 89243571
3-fluoro-1,4-dimethyl-3,6-dihydro-2H-pyridine
CID 117936380
1-(2,2-difluoroethyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 126994799
1-(2-fluorobutyl)-4-methyl-3,6-dihydro-2H-pyridine
CID 131199791
(Z)-N,N-diethyl-4-fluoro-5-methylhept-4-en-1-amine
CID 134593961
1-(Difluoromethyl)-3,4-di(propan-2-yl)-2,5-dihydropyrrole
CID 140596337
4-fluoro-1,5-dimethyl-3,6-dihydro-2H-pyridine
CID 145304505

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(2-fluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine (CID 131085871) is 1-(2-fluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(2-fluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(2-fluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine is CC1=C(C)CN(CCF)CC1.
What is the InChIKey of 1-(2-fluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is AIJOPCXTJXIRHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16FN/c1-8-3-5-11(6-4-10)7-9(8)2/h3-7H2,1-2H3.
What are the key properties of 1-(2-fluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
1-(2-fluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 157.23 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 131085871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).