tert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate

C10H19FN2O2 — CID 105472572

IUPACtert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CN)(CF)C1
InChIInChI=1S/C10H19FN2O2/c1-9(2,3)15-8(14)13-6-10(4-11,5-12)7-13/h4-7,12H2,1-3H3
InChIKeyILYAQLJWSNNHMR-UHFFFAOYSA-N
MW218.27 g/mol
LogP1.15
Rot. Bonds2

About tert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate

tert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate (PubChem CID 105472572) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is tert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate
PubChem CID105472572
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Nametert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC(CN)(CF)C1
InChIInChI=1S/C10H19FN2O2/c1-9(2,3)15-8(14)13-6-10(4-11,5-12)7-13/h4-7,12H2,1-3H3
InChIKeyILYAQLJWSNNHMR-UHFFFAOYSA-N
XLogP1.15
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate 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 tert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate (CID 105472572) is tert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate is CC(C)(C)OC(=O)N1CC(CN)(CF)C1.
What is the InChIKey of tert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate?
The InChIKey is ILYAQLJWSNNHMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FN2O2/c1-9(2,3)15-8(14)13-6-10(4-11,5-12)7-13/h4-7,12H2,1-3H3.
What are the key properties of tert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate?
tert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate has a molecular weight of 218.27 g/mol, XLogP of 1.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(aminomethyl)-3-(fluoromethyl)azetidine-1-carboxylate is sourced from PubChem (CID 105472572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).