4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine

C8H12F3N — CID 89078466

IUPAC4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H12F3N/c1-7-2-4-12(5-3-7)6-8(9,10)11/h2H,3-6H2,1H3
InChIKeyHUJOHPKAUOZUEN-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.20
Rot. Bonds1

About 4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine

4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine (PubChem CID 89078466) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is 4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
PubChem CID89078466
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine
SMILESCC1=CCN(CC(F)(F)F)CC1
InChIInChI=1S/C8H12F3N/c1-7-2-4-12(5-3-7)6-8(9,10)11/h2H,3-6H2,1H3
InChIKeyHUJOHPKAUOZUEN-UHFFFAOYSA-N
XLogP2.20
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methyl-1-(2,2,2-trifluoroethyl)-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 4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The IUPAC name of 4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine (CID 89078466) is 4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The canonical SMILES for 4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine is CC1=CCN(CC(F)(F)F)CC1.
What is the InChIKey of 4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
The InChIKey is HUJOHPKAUOZUEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-7-2-4-12(5-3-7)6-8(9,10)11/h2H,3-6H2,1H3.
What are the key properties of 4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine?
4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine has a molecular weight of 179.19 g/mol, XLogP of 2.20, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2,2,2-trifluoroethyl)-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 89078466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).