2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid

C8H13F2NO3 — CID 121204060

IUPAC2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CC(F)(F)CC1CO
InChIInChI=1S/C8H13F2NO3/c1-5(7(13)14)11-4-8(9,10)2-6(11)3-12/h5-6,12H,2-4H2,1H3,(H,13,14)
InChIKeyZWSAWMHNRZUCTJ-UHFFFAOYSA-N
MW209.19 g/mol
LogP0.16
Rot. Bonds3

About 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid

2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid (PubChem CID 121204060) has the molecular formula C8H13F2NO3 and a molecular weight of 209.19 g/mol. Its IUPAC name is 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid.

Molecular Properties

Compound Name2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid
PubChem CID121204060
Molecular FormulaC8H13F2NO3
Molecular Weight209.19 g/mol
Exact Mass209.09
IUPAC Name2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid
SMILESCC(C(=O)O)N1CC(F)(F)CC1CO
InChIInChI=1S/C8H13F2NO3/c1-5(7(13)14)11-4-8(9,10)2-6(11)3-12/h5-6,12H,2-4H2,1H3,(H,13,14)
InChIKeyZWSAWMHNRZUCTJ-UHFFFAOYSA-N
XLogP0.16
TPSA60.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.19
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propanoic 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 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid?
The IUPAC name of 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid (CID 121204060) is 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid.
What is the SMILES notation for 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid?
The canonical SMILES for 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid is CC(C(=O)O)N1CC(F)(F)CC1CO.
What is the InChIKey of 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid?
The InChIKey is ZWSAWMHNRZUCTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO3/c1-5(7(13)14)11-4-8(9,10)2-6(11)3-12/h5-6,12H,2-4H2,1H3,(H,13,14).
What are the key properties of 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid?
2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid has a molecular weight of 209.19 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,4-difluoro-2-(hydroxymethyl)pyrrolidin-1-yl]propanoic acid is sourced from PubChem (CID 121204060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).