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

C7H10F3N — CID 126694523

IUPAC6-methyl-4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
SMILESCC1=CC(C(F)(F)F)CCN1
InChIInChI=1S/C7H10F3N/c1-5-4-6(2-3-11-5)7(8,9)10/h4,6,11H,2-3H2,1H3
InChIKeySQVYOVODUPNHQL-UHFFFAOYSA-N
MW165.16 g/mol
LogP2.06
Rot. Bonds

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

6-methyl-4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine (PubChem CID 126694523) has the molecular formula C7H10F3N and a molecular weight of 165.16 g/mol. Its IUPAC name is 6-methyl-4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine.

Molecular Properties

Compound Name6-methyl-4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
PubChem CID126694523
Molecular FormulaC7H10F3N
Molecular Weight165.16 g/mol
Exact Mass165.08
IUPAC Name6-methyl-4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine
SMILESCC1=CC(C(F)(F)F)CCN1
InChIInChI=1S/C7H10F3N/c1-5-4-6(2-3-11-5)7(8,9)10/h4,6,11H,2-3H2,1H3
InChIKeySQVYOVODUPNHQL-UHFFFAOYSA-N
XLogP2.06
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 ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
The IUPAC name of 6-methyl-4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine (CID 126694523) is 6-methyl-4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine.
What is the SMILES notation for 6-methyl-4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
The canonical SMILES for 6-methyl-4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine is CC1=CC(C(F)(F)F)CCN1.
What is the InChIKey of 6-methyl-4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
The InChIKey is SQVYOVODUPNHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F3N/c1-5-4-6(2-3-11-5)7(8,9)10/h4,6,11H,2-3H2,1H3.
What are the key properties of 6-methyl-4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine?
6-methyl-4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine has a molecular weight of 165.16 g/mol, XLogP of 2.06, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(trifluoromethyl)-1,2,3,4-tetrahydropyridine is sourced from PubChem (CID 126694523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).