2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyridine

C8H12F3N — CID 162563507

IUPAC2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
SMILESCCC1CCC=C(C(F)(F)F)N1
InChIInChI=1S/C8H12F3N/c1-2-6-4-3-5-7(12-6)8(9,10)11/h5-6,12H,2-4H2,1H3
InChIKeyDLLZSWVGCZCXOG-UHFFFAOYSA-N
MW179.19 g/mol
LogP2.59
Rot. Bonds1

About 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyridine

2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyridine (PubChem CID 162563507) has the molecular formula C8H12F3N and a molecular weight of 179.19 g/mol. Its IUPAC name is 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
PubChem CID162563507
Molecular FormulaC8H12F3N
Molecular Weight179.19 g/mol
Exact Mass179.09
IUPAC Name2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
SMILESCCC1CCC=C(C(F)(F)F)N1
InChIInChI=1S/C8H12F3N/c1-2-6-4-3-5-7(12-6)8(9,10)11/h5-6,12H,2-4H2,1H3
InChIKeyDLLZSWVGCZCXOG-UHFFFAOYSA-N
XLogP2.59
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyridine 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

5-pentyl-2-(trifluoromethyl)-2,3-dihydro-1H-pyrrole
CID 70124611
2-(3,3,3-Trifluoropropylidene)piperidine
CID 117818431
3-Fluoro-6-methyl-1,2,3,4-tetrahydropyridine
CID 148008923
(Z)-7,7,7-trifluoro-6-N-methylhept-5-ene-1,6-diamine
CID 163523940
(4S)-4-N-(2-fluoroethyl)-1-N,1-N-dimethylcyclohexene-1,4-diamine
CID 167068198
(2R)-2-ethyl-6-fluoro-7-methylidene-1,2,3,4-tetrahydroazepine
CID 173974625
N-(3,3,3-trifluoropropyl)cyclohex-3-en-1-amine
CID 65678125
N-(2,2-difluoroethyl)cyclohex-3-en-1-amine
CID 65679556
N-(2,2,2-trifluoroethyl)cyclohex-3-en-1-amine
CID 65702538
N-(1,1-difluoropropan-2-yl)cyclohex-3-en-1-amine
CID 102869681
N-(4,4,4-trifluorobutyl)cyclohex-3-en-1-amine
CID 115513772
N-(4,4,4-trifluorobutan-2-yl)cyclohex-3-en-1-amine
CID 115890850

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
The IUPAC name of 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyridine (CID 162563507) is 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyridine is CCC1CCC=C(C(F)(F)F)N1.
What is the InChIKey of 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
The InChIKey is DLLZSWVGCZCXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F3N/c1-2-6-4-3-5-7(12-6)8(9,10)11/h5-6,12H,2-4H2,1H3.
What are the key properties of 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyridine has a molecular weight of 179.19 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(trifluoromethyl)-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 162563507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).