tert-butyl 3-(4-fluorophenyl)-3-methoxyazetidine-1-carboxylate

C15H20FNO3 — CID 137499380

IUPACtert-butyl 3-(4-fluorophenyl)-3-methoxyazetidine-1-carboxylate
SMILESCOC1(c2ccc(F)cc2)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H20FNO3/c1-14(2,3)20-13(18)17-9-15(10-17,19-4)11-5-7-12(16)8-6-11/h5-8H,9-10H2,1-4H3
InChIKeyXTEILRQYZLWZDQ-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.92
Rot. Bonds2

About tert-butyl 3-(4-fluorophenyl)-3-methoxyazetidine-1-carboxylate

tert-butyl 3-(4-fluorophenyl)-3-methoxyazetidine-1-carboxylate (PubChem CID 137499380) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is tert-butyl 3-(4-fluorophenyl)-3-methoxyazetidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(4-fluorophenyl)-3-methoxyazetidine-1-carboxylate
PubChem CID137499380
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Nametert-butyl 3-(4-fluorophenyl)-3-methoxyazetidine-1-carboxylate
SMILESCOC1(c2ccc(F)cc2)CN(C(=O)OC(C)(C)C)C1
InChIInChI=1S/C15H20FNO3/c1-14(2,3)20-13(18)17-9-15(10-17,19-4)11-5-7-12(16)8-6-11/h5-8H,9-10H2,1-4H3
InChIKeyXTEILRQYZLWZDQ-UHFFFAOYSA-N
XLogP2.92
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl 3-(4-fluorophenyl)-3-methoxyazetidine-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-(4-fluorophenyl)-3-methoxyazetidine-1-carboxylate?
The IUPAC name of tert-butyl 3-(4-fluorophenyl)-3-methoxyazetidine-1-carboxylate (CID 137499380) is tert-butyl 3-(4-fluorophenyl)-3-methoxyazetidine-1-carboxylate.
What is the SMILES notation for tert-butyl 3-(4-fluorophenyl)-3-methoxyazetidine-1-carboxylate?
The canonical SMILES for tert-butyl 3-(4-fluorophenyl)-3-methoxyazetidine-1-carboxylate is COC1(c2ccc(F)cc2)CN(C(=O)OC(C)(C)C)C1.
What is the InChIKey of tert-butyl 3-(4-fluorophenyl)-3-methoxyazetidine-1-carboxylate?
The InChIKey is XTEILRQYZLWZDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-14(2,3)20-13(18)17-9-15(10-17,19-4)11-5-7-12(16)8-6-11/h5-8H,9-10H2,1-4H3.
What are the key properties of tert-butyl 3-(4-fluorophenyl)-3-methoxyazetidine-1-carboxylate?
tert-butyl 3-(4-fluorophenyl)-3-methoxyazetidine-1-carboxylate has a molecular weight of 281.33 g/mol, XLogP of 2.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(4-fluorophenyl)-3-methoxyazetidine-1-carboxylate is sourced from PubChem (CID 137499380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).