5-(trifluoromethyl)-2,3,4,5-tetrahydropyridine

C6H8F3N — CID 90702622

IUPAC5-(trifluoromethyl)-2,3,4,5-tetrahydropyridine
SMILESFC(F)(F)C1C=NCCC1
InChIInChI=1S/C6H8F3N/c7-6(8,9)5-2-1-3-10-4-5/h4-5H,1-3H2
InChIKeySYSIDFLVOSRDKQ-UHFFFAOYSA-N
MW151.13 g/mol
LogP2.03
Rot. Bonds

About 5-(trifluoromethyl)-2,3,4,5-tetrahydropyridine

5-(trifluoromethyl)-2,3,4,5-tetrahydropyridine (PubChem CID 90702622) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name5-(trifluoromethyl)-2,3,4,5-tetrahydropyridine
PubChem CID90702622
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name5-(trifluoromethyl)-2,3,4,5-tetrahydropyridine
SMILESFC(F)(F)C1C=NCCC1
InChIInChI=1S/C6H8F3N/c7-6(8,9)5-2-1-3-10-4-5/h4-5H,1-3H2
InChIKeySYSIDFLVOSRDKQ-UHFFFAOYSA-N
XLogP2.03
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.13
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 5-(trifluoromethyl)-2,3,4,5-tetrahydropyridine 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-(trifluoromethyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 5-(trifluoromethyl)-2,3,4,5-tetrahydropyridine (CID 90702622) is 5-(trifluoromethyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 5-(trifluoromethyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 5-(trifluoromethyl)-2,3,4,5-tetrahydropyridine is FC(F)(F)C1C=NCCC1.
What is the InChIKey of 5-(trifluoromethyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is SYSIDFLVOSRDKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N/c7-6(8,9)5-2-1-3-10-4-5/h4-5H,1-3H2.
What are the key properties of 5-(trifluoromethyl)-2,3,4,5-tetrahydropyridine?
5-(trifluoromethyl)-2,3,4,5-tetrahydropyridine has a molecular weight of 151.13 g/mol, XLogP of 2.03, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 90702622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).