2-ethyl-6-(1-fluoroethyl)-5-methyl-1,2,3,6-tetrahydropyridine

C10H18FN — CID 146640795

IUPAC2-ethyl-6-(1-fluoroethyl)-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCCC1CC=C(C)C(C(C)F)N1
InChIInChI=1S/C10H18FN/c1-4-9-6-5-7(2)10(12-9)8(3)11/h5,8-10,12H,4,6H2,1-3H3
InChIKeyMAGJIPNYWATAOD-UHFFFAOYSA-N
MW171.26 g/mol
LogP2.43
Rot. Bonds2

About 2-ethyl-6-(1-fluoroethyl)-5-methyl-1,2,3,6-tetrahydropyridine

2-ethyl-6-(1-fluoroethyl)-5-methyl-1,2,3,6-tetrahydropyridine (PubChem CID 146640795) has the molecular formula C10H18FN and a molecular weight of 171.26 g/mol. Its IUPAC name is 2-ethyl-6-(1-fluoroethyl)-5-methyl-1,2,3,6-tetrahydropyridine.

Molecular Properties

Compound Name2-ethyl-6-(1-fluoroethyl)-5-methyl-1,2,3,6-tetrahydropyridine
PubChem CID146640795
Molecular FormulaC10H18FN
Molecular Weight171.26 g/mol
Exact Mass171.14
IUPAC Name2-ethyl-6-(1-fluoroethyl)-5-methyl-1,2,3,6-tetrahydropyridine
SMILESCCC1CC=C(C)C(C(C)F)N1
InChIInChI=1S/C10H18FN/c1-4-9-6-5-7(2)10(12-9)8(3)11/h5,8-10,12H,4,6H2,1-3H3
InChIKeyMAGJIPNYWATAOD-UHFFFAOYSA-N
XLogP2.43
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.26
LogP ≤ 52.43
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 2-ethyl-6-(1-fluoroethyl)-5-methyl-1,2,3,6-tetrahydropyridine?
The IUPAC name of 2-ethyl-6-(1-fluoroethyl)-5-methyl-1,2,3,6-tetrahydropyridine (CID 146640795) is 2-ethyl-6-(1-fluoroethyl)-5-methyl-1,2,3,6-tetrahydropyridine.
What is the SMILES notation for 2-ethyl-6-(1-fluoroethyl)-5-methyl-1,2,3,6-tetrahydropyridine?
The canonical SMILES for 2-ethyl-6-(1-fluoroethyl)-5-methyl-1,2,3,6-tetrahydropyridine is CCC1CC=C(C)C(C(C)F)N1.
What is the InChIKey of 2-ethyl-6-(1-fluoroethyl)-5-methyl-1,2,3,6-tetrahydropyridine?
The InChIKey is MAGJIPNYWATAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18FN/c1-4-9-6-5-7(2)10(12-9)8(3)11/h5,8-10,12H,4,6H2,1-3H3.
What are the key properties of 2-ethyl-6-(1-fluoroethyl)-5-methyl-1,2,3,6-tetrahydropyridine?
2-ethyl-6-(1-fluoroethyl)-5-methyl-1,2,3,6-tetrahydropyridine has a molecular weight of 171.26 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-6-(1-fluoroethyl)-5-methyl-1,2,3,6-tetrahydropyridine is sourced from PubChem (CID 146640795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).