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

C7H10F3N — CID 154969239

IUPAC5-methyl-3-(trifluoromethyl)-2,3,4,5-tetrahydropyridine
SMILESCC1C=NCC(C(F)(F)F)C1
InChIInChI=1S/C7H10F3N/c1-5-2-6(4-11-3-5)7(8,9)10/h3,5-6H,2,4H2,1H3
InChIKeyIHBNXNZARKAXFE-UHFFFAOYSA-N
MW165.16 g/mol
LogP2.28
Rot. Bonds

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

5-methyl-3-(trifluoromethyl)-2,3,4,5-tetrahydropyridine (PubChem CID 154969239) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 5-methyl-3-(trifluoromethyl)-2,3,4,5-tetrahydropyridine.

Molecular Properties

Compound Name5-methyl-3-(trifluoromethyl)-2,3,4,5-tetrahydropyridine
PubChem CID154969239
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name5-methyl-3-(trifluoromethyl)-2,3,4,5-tetrahydropyridine
SMILESCC1C=NCC(C(F)(F)F)C1
InChIInChI=1S/C7H10F3N/c1-5-2-6(4-11-3-5)7(8,9)10/h3,5-6H,2,4H2,1H3
InChIKeyIHBNXNZARKAXFE-UHFFFAOYSA-N
XLogP2.28
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.16
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(trifluoromethyl)-2,3,4,5-tetrahydropyridine?
The IUPAC name of 5-methyl-3-(trifluoromethyl)-2,3,4,5-tetrahydropyridine (CID 154969239) is 5-methyl-3-(trifluoromethyl)-2,3,4,5-tetrahydropyridine.
What is the SMILES notation for 5-methyl-3-(trifluoromethyl)-2,3,4,5-tetrahydropyridine?
The canonical SMILES for 5-methyl-3-(trifluoromethyl)-2,3,4,5-tetrahydropyridine is CC1C=NCC(C(F)(F)F)C1.
What is the InChIKey of 5-methyl-3-(trifluoromethyl)-2,3,4,5-tetrahydropyridine?
The InChIKey is IHBNXNZARKAXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c1-5-2-6(4-11-3-5)7(8,9)10/h3,5-6H,2,4H2,1H3.
What are the key properties of 5-methyl-3-(trifluoromethyl)-2,3,4,5-tetrahydropyridine?
5-methyl-3-(trifluoromethyl)-2,3,4,5-tetrahydropyridine has a molecular weight of 165.16 g/mol, XLogP of 2.28, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(trifluoromethyl)-2,3,4,5-tetrahydropyridine is sourced from PubChem (CID 154969239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).