3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine

C8H14FN — CID 178009674

IUPAC3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCC1CN(C)CC=C1F
InChIInChI=1S/C8H14FN/c1-3-7-6-10(2)5-4-8(7)9/h4,7H,3,5-6H2,1-2H3
InChIKeyOLNLYFJOYQXSPS-UHFFFAOYSA-N
MW143.20 g/mol
LogP1.81
Rot. Bonds1

About 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine

3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 178009674) has the molecular formula C8H14FN and a molecular weight of 143.20 g/mol. Its IUPAC name is 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID178009674
Molecular FormulaC8H14FN
Molecular Weight143.20 g/mol
Exact Mass143.11
IUPAC Name3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine
SMILESCCC1CN(C)CC=C1F
InChIInChI=1S/C8H14FN/c1-3-7-6-10(2)5-4-8(7)9/h4,7H,3,5-6H2,1-2H3
InChIKeyOLNLYFJOYQXSPS-UHFFFAOYSA-N
XLogP1.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.20
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-ethyl-4-fluoro-1-methyl-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

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine (CID 178009674) is 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine is CCC1CN(C)CC=C1F.
What is the InChIKey of 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is OLNLYFJOYQXSPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN/c1-3-7-6-10(2)5-4-8(7)9/h4,7H,3,5-6H2,1-2H3.
What are the key properties of 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine?
3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 143.20 g/mol, XLogP of 1.81, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 178009674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).