3-[(3,5-difluorophenyl)methoxy]pyrrolidine-1-carboxylic acid

C12H13F2NO3 — CID 67416441

IUPAC3-[(3,5-difluorophenyl)methoxy]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(OCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C12H13F2NO3/c13-9-3-8(4-10(14)5-9)7-18-11-1-2-15(6-11)12(16)17/h3-5,11H,1-2,6-7H2,(H,16,17)
InChIKeyLACFYFMASGLUEX-UHFFFAOYSA-N
MW257.24 g/mol
LogP2.23
Rot. Bonds3

About 3-[(3,5-difluorophenyl)methoxy]pyrrolidine-1-carboxylic acid

3-[(3,5-difluorophenyl)methoxy]pyrrolidine-1-carboxylic acid (PubChem CID 67416441) has the molecular formula C12H13F2NO3 and a molecular weight of 257.24 g/mol. Its IUPAC name is 3-[(3,5-difluorophenyl)methoxy]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name3-[(3,5-difluorophenyl)methoxy]pyrrolidine-1-carboxylic acid
PubChem CID67416441
Molecular FormulaC12H13F2NO3
Molecular Weight257.24 g/mol
Exact Mass257.09
IUPAC Name3-[(3,5-difluorophenyl)methoxy]pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCC(OCc2cc(F)cc(F)c2)C1
InChIInChI=1S/C12H13F2NO3/c13-9-3-8(4-10(14)5-9)7-18-11-1-2-15(6-11)12(16)17/h3-5,11H,1-2,6-7H2,(H,16,17)
InChIKeyLACFYFMASGLUEX-UHFFFAOYSA-N
XLogP2.23
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.24
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-[(3,5-difluorophenyl)methoxy]pyrrolidine-1-carboxylic acid 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 3-[(3,5-difluorophenyl)methoxy]pyrrolidine-1-carboxylic acid?
The IUPAC name of 3-[(3,5-difluorophenyl)methoxy]pyrrolidine-1-carboxylic acid (CID 67416441) is 3-[(3,5-difluorophenyl)methoxy]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 3-[(3,5-difluorophenyl)methoxy]pyrrolidine-1-carboxylic acid?
The canonical SMILES for 3-[(3,5-difluorophenyl)methoxy]pyrrolidine-1-carboxylic acid is O=C(O)N1CCC(OCc2cc(F)cc(F)c2)C1.
What is the InChIKey of 3-[(3,5-difluorophenyl)methoxy]pyrrolidine-1-carboxylic acid?
The InChIKey is LACFYFMASGLUEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F2NO3/c13-9-3-8(4-10(14)5-9)7-18-11-1-2-15(6-11)12(16)17/h3-5,11H,1-2,6-7H2,(H,16,17).
What are the key properties of 3-[(3,5-difluorophenyl)methoxy]pyrrolidine-1-carboxylic acid?
3-[(3,5-difluorophenyl)methoxy]pyrrolidine-1-carboxylic acid has a molecular weight of 257.24 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-difluorophenyl)methoxy]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 67416441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).