tert-butyl 2-(2,5-difluorophenyl)-2-hydroxypyrrolidine-1-carboxylate

C15H19F2NO3 — CID 58335834

IUPACtert-butyl 2-(2,5-difluorophenyl)-2-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1(O)c1cc(F)ccc1F
InChIInChI=1S/C15H19F2NO3/c1-14(2,3)21-13(19)18-8-4-7-15(18,20)11-9-10(16)5-6-12(11)17/h5-6,9,20H,4,7-8H2,1-3H3
InChIKeyZKQGSVCOIIMESK-UHFFFAOYSA-N
MW299.32 g/mol
LogP3.14
Rot. Bonds1

About tert-butyl 2-(2,5-difluorophenyl)-2-hydroxypyrrolidine-1-carboxylate

tert-butyl 2-(2,5-difluorophenyl)-2-hydroxypyrrolidine-1-carboxylate (PubChem CID 58335834) has the molecular formula C15H19F2NO3 and a molecular weight of 299.32 g/mol. Its IUPAC name is tert-butyl 2-(2,5-difluorophenyl)-2-hydroxypyrrolidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(2,5-difluorophenyl)-2-hydroxypyrrolidine-1-carboxylate
PubChem CID58335834
Molecular FormulaC15H19F2NO3
Molecular Weight299.32 g/mol
Exact Mass299.13
IUPAC Nametert-butyl 2-(2,5-difluorophenyl)-2-hydroxypyrrolidine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCCC1(O)c1cc(F)ccc1F
InChIInChI=1S/C15H19F2NO3/c1-14(2,3)21-13(19)18-8-4-7-15(18,20)11-9-10(16)5-6-12(11)17/h5-6,9,20H,4,7-8H2,1-3H3
InChIKeyZKQGSVCOIIMESK-UHFFFAOYSA-N
XLogP3.14
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.32
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze tert-butyl 2-(2,5-difluorophenyl)-2-hydroxypyrrolidine-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 2-(2,5-difluorophenyl)-2-hydroxypyrrolidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(2,5-difluorophenyl)-2-hydroxypyrrolidine-1-carboxylate (CID 58335834) is tert-butyl 2-(2,5-difluorophenyl)-2-hydroxypyrrolidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(2,5-difluorophenyl)-2-hydroxypyrrolidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(2,5-difluorophenyl)-2-hydroxypyrrolidine-1-carboxylate is CC(C)(C)OC(=O)N1CCCC1(O)c1cc(F)ccc1F.
What is the InChIKey of tert-butyl 2-(2,5-difluorophenyl)-2-hydroxypyrrolidine-1-carboxylate?
The InChIKey is ZKQGSVCOIIMESK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2NO3/c1-14(2,3)21-13(19)18-8-4-7-15(18,20)11-9-10(16)5-6-12(11)17/h5-6,9,20H,4,7-8H2,1-3H3.
What are the key properties of tert-butyl 2-(2,5-difluorophenyl)-2-hydroxypyrrolidine-1-carboxylate?
tert-butyl 2-(2,5-difluorophenyl)-2-hydroxypyrrolidine-1-carboxylate has a molecular weight of 299.32 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(2,5-difluorophenyl)-2-hydroxypyrrolidine-1-carboxylate is sourced from PubChem (CID 58335834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).