3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine;propane

C11H22FN — CID 178009673

IUPAC3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine;propane
SMILESCCC.CCC1CN(C)CC=C1F
InChIInChI=1S/C8H14FN.C3H8/c1-3-7-6-10(2)5-4-8(7)9;1-3-2/h4,7H,3,5-6H2,1-2H3;3H2,1-2H3
InChIKeyPLXYJCQWGQTHOH-UHFFFAOYSA-N
MW187.30 g/mol
LogP3.23
Rot. Bonds1

About 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine;propane

3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine;propane (PubChem CID 178009673) has the molecular formula C11H22FN and a molecular weight of 187.30 g/mol. Its IUPAC name is 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine;propane.

Molecular Properties

Compound Name3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine;propane
PubChem CID178009673
Molecular FormulaC11H22FN
Molecular Weight187.30 g/mol
Exact Mass187.17
IUPAC Name3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine;propane
SMILESCCC.CCC1CN(C)CC=C1F
InChIInChI=1S/C8H14FN.C3H8/c1-3-7-6-10(2)5-4-8(7)9;1-3-2/h4,7H,3,5-6H2,1-2H3;3H2,1-2H3
InChIKeyPLXYJCQWGQTHOH-UHFFFAOYSA-N
XLogP3.23
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.30
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine;propane?
The IUPAC name of 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine;propane (CID 178009673) is 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine;propane.
What is the SMILES notation for 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine;propane?
The canonical SMILES for 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine;propane is CCC.CCC1CN(C)CC=C1F.
What is the InChIKey of 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine;propane?
The InChIKey is PLXYJCQWGQTHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14FN.C3H8/c1-3-7-6-10(2)5-4-8(7)9;1-3-2/h4,7H,3,5-6H2,1-2H3;3H2,1-2H3.
What are the key properties of 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine;propane?
3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine;propane has a molecular weight of 187.30 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-fluoro-1-methyl-3,6-dihydro-2H-pyridine;propane is sourced from PubChem (CID 178009673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).