5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine

C6H8F3N — CID 131587634

IUPAC5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
SMILESFC(F)(F)C1=CCCNC1
InChIInChI=1S/C6H8F3N/c7-6(8,9)5-2-1-3-10-4-5/h2,10H,1,3-4H2
InChIKeyJKBSDQKJXHIDMS-UHFFFAOYSA-N
MW151.13 g/mol
LogP1.47
Rot. Bonds

About 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine

5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 131587634) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
PubChem CID131587634
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
SMILESFC(F)(F)C1=CCCNC1
InChIInChI=1S/C6H8F3N/c7-6(8,9)5-2-1-3-10-4-5/h2,10H,1,3-4H2
InChIKeyJKBSDQKJXHIDMS-UHFFFAOYSA-N
XLogP1.47
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 51.47
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 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine (CID 131587634) is 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine is FC(F)(F)C1=CCCNC1.
What is the InChIKey of 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is JKBSDQKJXHIDMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N/c7-6(8,9)5-2-1-3-10-4-5/h2,10H,1,3-4H2.
What are the key properties of 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine?
5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 151.13 g/mol, XLogP of 1.47, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 131587634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).