1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one

C8H15FN2O — CID 138987305

IUPAC1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(F)(CN)C1
InChIInChI=1S/C8H15FN2O/c1-6(2)7(12)11-4-8(9,3-10)5-11/h6H,3-5,10H2,1-2H3
InChIKeyBHSVRVKUQPXJDZ-UHFFFAOYSA-N
MW174.22 g/mol
LogP0.15
Rot. Bonds2

About 1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one

1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one (PubChem CID 138987305) has the molecular formula C8H15FN2O and a molecular weight of 174.22 g/mol. Its IUPAC name is 1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one.

Molecular Properties

Compound Name1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one
PubChem CID138987305
Molecular FormulaC8H15FN2O
Molecular Weight174.22 g/mol
Exact Mass174.12
IUPAC Name1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one
SMILESCC(C)C(=O)N1CC(F)(CN)C1
InChIInChI=1S/C8H15FN2O/c1-6(2)7(12)11-4-8(9,3-10)5-11/h6H,3-5,10H2,1-2H3
InChIKeyBHSVRVKUQPXJDZ-UHFFFAOYSA-N
XLogP0.15
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one 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 1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one?
The IUPAC name of 1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one (CID 138987305) is 1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one.
What is the SMILES notation for 1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one?
The canonical SMILES for 1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one is CC(C)C(=O)N1CC(F)(CN)C1.
What is the InChIKey of 1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one?
The InChIKey is BHSVRVKUQPXJDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15FN2O/c1-6(2)7(12)11-4-8(9,3-10)5-11/h6H,3-5,10H2,1-2H3.
What are the key properties of 1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one?
1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one has a molecular weight of 174.22 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(aminomethyl)-3-fluoroazetidin-1-yl]-2-methylpropan-1-one is sourced from PubChem (CID 138987305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).