6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride

C6H9ClF3N — CID 53441289

IUPAC6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCl.FC(F)(F)C1C=CCCN1
InChIInChI=1S/C6H8F3N.ClH/c7-6(8,9)5-3-1-2-4-10-5;/h1,3,5,10H,2,4H2;1H
InChIKeyNWAPMOGOLHKDNU-UHFFFAOYSA-N
MW187.59 g/mol
LogP1.89
Rot. Bonds

About 6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride

6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride (PubChem CID 53441289) has the molecular formula C6H9ClF3N and a molecular weight of 187.59 g/mol. Its IUPAC name is 6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride.

Molecular Properties

Compound Name6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride
PubChem CID53441289
Molecular FormulaC6H9ClF3N
Molecular Weight187.59 g/mol
Exact Mass187.04
IUPAC Name6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride
SMILESCl.FC(F)(F)C1C=CCCN1
InChIInChI=1S/C6H8F3N.ClH/c7-6(8,9)5-3-1-2-4-10-5;/h1,3,5,10H,2,4H2;1H
InChIKeyNWAPMOGOLHKDNU-UHFFFAOYSA-N
XLogP1.89
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.59
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The IUPAC name of 6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride (CID 53441289) is 6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride.
What is the SMILES notation for 6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The canonical SMILES for 6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride is Cl.FC(F)(F)C1C=CCCN1.
What is the InChIKey of 6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
The InChIKey is NWAPMOGOLHKDNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N.ClH/c7-6(8,9)5-3-1-2-4-10-5;/h1,3,5,10H,2,4H2;1H.
What are the key properties of 6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride?
6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride has a molecular weight of 187.59 g/mol, XLogP of 1.89, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine;hydrochloride is sourced from PubChem (CID 53441289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).