5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane

C11H19FN2 — CID 164648889

IUPAC5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane
SMILESCC(C1C2CNC1C2)N1CCC(F)C1
InChIInChI=1S/C11H19FN2/c1-7(14-3-2-9(12)6-14)11-8-4-10(11)13-5-8/h7-11,13H,2-6H2,1H3
InChIKeyMADQYAMNYZZVIC-UHFFFAOYSA-N
MW198.28 g/mol
LogP1.03
Rot. Bonds2

About 5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane

5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane (PubChem CID 164648889) has the molecular formula C11H19FN2 and a molecular weight of 198.28 g/mol. Its IUPAC name is 5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane.

Molecular Properties

Compound Name5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane
PubChem CID164648889
Molecular FormulaC11H19FN2
Molecular Weight198.28 g/mol
Exact Mass198.15
IUPAC Name5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane
SMILESCC(C1C2CNC1C2)N1CCC(F)C1
InChIInChI=1S/C11H19FN2/c1-7(14-3-2-9(12)6-14)11-8-4-10(11)13-5-8/h7-11,13H,2-6H2,1H3
InChIKeyMADQYAMNYZZVIC-UHFFFAOYSA-N
XLogP1.03
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.28
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane?
The IUPAC name of 5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane (CID 164648889) is 5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane.
What is the SMILES notation for 5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane?
The canonical SMILES for 5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane is CC(C1C2CNC1C2)N1CCC(F)C1.
What is the InChIKey of 5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane?
The InChIKey is MADQYAMNYZZVIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FN2/c1-7(14-3-2-9(12)6-14)11-8-4-10(11)13-5-8/h7-11,13H,2-6H2,1H3.
What are the key properties of 5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane?
5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane has a molecular weight of 198.28 g/mol, XLogP of 1.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-fluoropyrrolidin-1-yl)ethyl]-2-azabicyclo[2.1.1]hexane is sourced from PubChem (CID 164648889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).