1-(3-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine

C11H20FN — CID 131132100

IUPAC1-(3-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(C)CN(CCC(C)F)CC1
InChIInChI=1S/C11H20FN/c1-9-4-6-13(8-10(9)2)7-5-11(3)12/h11H,4-8H2,1-3H3
InChIKeyJESSZJYQWCWXTL-UHFFFAOYSA-N
MW185.29 g/mol
LogP2.78
Rot. Bonds3

About 1-(3-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine

1-(3-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine (PubChem CID 131132100) has the molecular formula C11H20FN and a molecular weight of 185.29 g/mol. Its IUPAC name is 1-(3-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name1-(3-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
PubChem CID131132100
Molecular FormulaC11H20FN
Molecular Weight185.29 g/mol
Exact Mass185.16
IUPAC Name1-(3-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine
SMILESCC1=C(C)CN(CCC(C)F)CC1
InChIInChI=1S/C11H20FN/c1-9-4-6-13(8-10(9)2)7-5-11(3)12/h11H,4-8H2,1-3H3
InChIKeyJESSZJYQWCWXTL-UHFFFAOYSA-N
XLogP2.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.29
LogP ≤ 52.78
H-Bond Donors ≤ 50
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 1-(3-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 1-(3-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine (CID 131132100) is 1-(3-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 1-(3-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 1-(3-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine is CC1=C(C)CN(CCC(C)F)CC1.
What is the InChIKey of 1-(3-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
The InChIKey is JESSZJYQWCWXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FN/c1-9-4-6-13(8-10(9)2)7-5-11(3)12/h11H,4-8H2,1-3H3.
What are the key properties of 1-(3-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine?
1-(3-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine has a molecular weight of 185.29 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorobutyl)-4,5-dimethyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 131132100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).