tert-butyl (2R)-2-[(3-fluorophenoxy)methyl]pyrrolidine-1-carboxylate

C16H22FNO3 — CID 22857708

IUPACtert-butyl (2R)-2-[(3-fluorophenoxy)methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1COc1cccc(F)c1
InChIInChI=1S/C16H22FNO3/c1-16(2,3)21-15(19)18-9-5-7-13(18)11-20-14-8-4-6-12(17)10-14/h4,6,8,10,13H,5,7,9,11H2,1-3H3/t13-/m1/s1
InChIKeyJAUOUTQMXXTGHG-CYBMUJFWSA-N
MW295.35 g/mol
LogP3.60
Rot. Bonds3

About tert-butyl (2R)-2-[(3-fluorophenoxy)methyl]pyrrolidine-1-carboxylate

tert-butyl (2R)-2-[(3-fluorophenoxy)methyl]pyrrolidine-1-carboxylate (PubChem CID 22857708) has the molecular formula C16H22FNO3 and a molecular weight of 295.35 g/mol. Its IUPAC name is tert-butyl (2R)-2-[(3-fluorophenoxy)methyl]pyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl (2R)-2-[(3-fluorophenoxy)methyl]pyrrolidine-1-carboxylate
PubChem CID22857708
Molecular FormulaC16H22FNO3
Molecular Weight295.35 g/mol
Exact Mass295.16
IUPAC Nametert-butyl (2R)-2-[(3-fluorophenoxy)methyl]pyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCC[C@@H]1COc1cccc(F)c1
InChIInChI=1S/C16H22FNO3/c1-16(2,3)21-15(19)18-9-5-7-13(18)11-20-14-8-4-6-12(17)10-14/h4,6,8,10,13H,5,7,9,11H2,1-3H3/t13-/m1/s1
InChIKeyJAUOUTQMXXTGHG-CYBMUJFWSA-N
XLogP3.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.35
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze tert-butyl (2R)-2-[(3-fluorophenoxy)methyl]pyrrolidine-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 (2R)-2-[(3-fluorophenoxy)methyl]pyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl (2R)-2-[(3-fluorophenoxy)methyl]pyrrolidine-1-carboxylate (CID 22857708) is tert-butyl (2R)-2-[(3-fluorophenoxy)methyl]pyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl (2R)-2-[(3-fluorophenoxy)methyl]pyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl (2R)-2-[(3-fluorophenoxy)methyl]pyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCC[C@@H]1COc1cccc(F)c1.
What is the InChIKey of tert-butyl (2R)-2-[(3-fluorophenoxy)methyl]pyrrolidine-1-carboxylate?
The InChIKey is JAUOUTQMXXTGHG-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H22FNO3/c1-16(2,3)21-15(19)18-9-5-7-13(18)11-20-14-8-4-6-12(17)10-14/h4,6,8,10,13H,5,7,9,11H2,1-3H3/t13-/m1/s1.
What are the key properties of tert-butyl (2R)-2-[(3-fluorophenoxy)methyl]pyrrolidine-1-carboxylate?
tert-butyl (2R)-2-[(3-fluorophenoxy)methyl]pyrrolidine-1-carboxylate has a molecular weight of 295.35 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (2R)-2-[(3-fluorophenoxy)methyl]pyrrolidine-1-carboxylate is sourced from PubChem (CID 22857708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).