4-methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine

C7H10F3N — CID 118357415

IUPAC4-methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
SMILESCC1=CC(C(F)(F)F)NCC1
InChIInChI=1S/C7H10F3N/c1-5-2-3-11-6(4-5)7(8,9)10/h4,6,11H,2-3H2,1H3
InChIKeyFXUSRNSWDKUBPH-UHFFFAOYSA-N
MW165.16 g/mol
LogP1.86
Rot. Bonds

About 4-methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine

4-methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine (PubChem CID 118357415) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 4-methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name4-methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
PubChem CID118357415
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name4-methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine
SMILESCC1=CC(C(F)(F)F)NCC1
InChIInChI=1S/C7H10F3N/c1-5-2-3-11-6(4-5)7(8,9)10/h4,6,11H,2-3H2,1H3
InChIKeyFXUSRNSWDKUBPH-UHFFFAOYSA-N
XLogP1.86
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 51.86
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 4-methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine?
The IUPAC name of 4-methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine (CID 118357415) is 4-methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 4-methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 4-methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine is CC1=CC(C(F)(F)F)NCC1.
What is the InChIKey of 4-methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine?
The InChIKey is FXUSRNSWDKUBPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c1-5-2-3-11-6(4-5)7(8,9)10/h4,6,11H,2-3H2,1H3.
What are the key properties of 4-methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine?
4-methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine has a molecular weight of 165.16 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(trifluoromethyl)-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 118357415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).