5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride

C12H13ClF3N — CID 3054980

IUPAC5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(C2=CCCNC2)c1
InChIInChI=1S/C12H12F3N.ClH/c13-12(14,15)11-5-1-3-9(7-11)10-4-2-6-16-8-10;/h1,3-5,7,16H,2,6,8H2;1H
InChIKeyCVIKWMIMXULNKU-UHFFFAOYSA-N
MW263.69 g/mol
LogP3.50
Rot. Bonds1

About 5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride

5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 3054980) has the molecular formula C12H13ClF3N and a molecular weight of 263.69 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID3054980
Molecular FormulaC12H13ClF3N
Molecular Weight263.69 g/mol
Exact Mass263.07
IUPAC Name5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCl.FC(F)(F)c1cccc(C2=CCCNC2)c1
InChIInChI=1S/C12H12F3N.ClH/c13-12(14,15)11-5-1-3-9(7-11)10-4-2-6-16-8-10;/h1,3-5,7,16H,2,6,8H2;1H
InChIKeyCVIKWMIMXULNKU-UHFFFAOYSA-N
XLogP3.50
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride 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 5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride (CID 3054980) is 5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride is Cl.FC(F)(F)c1cccc(C2=CCCNC2)c1.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is CVIKWMIMXULNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3N.ClH/c13-12(14,15)11-5-1-3-9(7-11)10-4-2-6-16-8-10;/h1,3-5,7,16H,2,6,8H2;1H.
What are the key properties of 5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride?
5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 263.69 g/mol, XLogP of 3.50, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 3054980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).