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

C6H8F3N — CID 162612855

IUPAC5-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
SMILESFC(F)(F)C1=CNCCC1
InChIInChI=1S/C6H8F3N/c7-6(8,9)5-2-1-3-10-4-5/h4,10H,1-3H2
InChIKeyZVOXOVQEWUFHNI-UHFFFAOYSA-N
MW151.13 g/mol
LogP1.82
Rot. Bonds

About 5-(trifluoromethyl)-1,2,3,4-tetrahydropyridine

5-(trifluoromethyl)-1,2,3,4-tetrahydropyridine (PubChem CID 162612855) has the molecular formula C6H8F3N and a molecular weight of 151.13 g/mol. Its IUPAC name is 5-(trifluoromethyl)-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name5-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
PubChem CID162612855
Molecular FormulaC6H8F3N
Molecular Weight151.13 g/mol
Exact Mass151.06
IUPAC Name5-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
SMILESFC(F)(F)C1=CNCCC1
InChIInChI=1S/C6H8F3N/c7-6(8,9)5-2-1-3-10-4-5/h4,10H,1-3H2
InChIKeyZVOXOVQEWUFHNI-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
The IUPAC name of 5-(trifluoromethyl)-1,2,3,4-tetrahydropyridine (CID 162612855) is 5-(trifluoromethyl)-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 5-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 5-(trifluoromethyl)-1,2,3,4-tetrahydropyridine is FC(F)(F)C1=CNCCC1.
What is the InChIKey of 5-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
The InChIKey is ZVOXOVQEWUFHNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8F3N/c7-6(8,9)5-2-1-3-10-4-5/h4,10H,1-3H2.
What are the key properties of 5-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
5-(trifluoromethyl)-1,2,3,4-tetrahydropyridine has a molecular weight of 151.13 g/mol, XLogP of 1.82, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 162612855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).