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

C6H8F3N — CID 162582386

IUPAC3-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
SMILESFC(F)(F)C1CC=CNC1
InChIInChI=1S/C6H8F3N/c7-6(8,9)5-2-1-3-10-4-5/h1,3,5,10H,2,4H2
InChIKeyHZSXVOQMIQKZOW-UHFFFAOYSA-N
MW151.13 g/mol
LogP1.67
Rot. Bonds

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

3-(trifluoromethyl)-1,2,3,4-tetrahydropyridine (PubChem CID 162582386) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is 3-(trifluoromethyl)-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name3-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
PubChem CID162582386
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name3-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
SMILESFC(F)(F)C1CC=CNC1
InChIInChI=1S/C6H8F3N/c7-6(8,9)5-2-1-3-10-4-5/h1,3,5,10H,2,4H2
InChIKeyHZSXVOQMIQKZOW-UHFFFAOYSA-N
XLogP1.67
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 ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
The IUPAC name of 3-(trifluoromethyl)-1,2,3,4-tetrahydropyridine (CID 162582386) is 3-(trifluoromethyl)-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 3-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 3-(trifluoromethyl)-1,2,3,4-tetrahydropyridine is FC(F)(F)C1CC=CNC1.
What is the InChIKey of 3-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
The InChIKey is HZSXVOQMIQKZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N/c7-6(8,9)5-2-1-3-10-4-5/h1,3,5,10H,2,4H2.
What are the key properties of 3-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
3-(trifluoromethyl)-1,2,3,4-tetrahydropyridine has a molecular weight of 151.13 g/mol, XLogP of 1.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethyl)-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 162582386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).