4,4-difluoro-1-methylpyrrolidine-2-carboxylic acid

C6H9F2NO2 — CID 67317570

IUPAC4,4-difluoro-1-methylpyrrolidine-2-carboxylic acid
SMILESCN1CC(F)(F)CC1C(=O)O
InChIInChI=1S/C6H9F2NO2/c1-9-3-6(7,8)2-4(9)5(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyCWWIFJQKJYXFQK-UHFFFAOYSA-N
MW165.14 g/mol
LogP0.41
Rot. Bonds1

About 4,4-difluoro-1-methylpyrrolidine-2-carboxylic acid

4,4-difluoro-1-methylpyrrolidine-2-carboxylic acid (PubChem CID 67317570) has the molecular formula C6H9F2NO2 and a molecular weight of 165.14 g/mol. Its IUPAC name is 4,4-difluoro-1-methylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4,4-difluoro-1-methylpyrrolidine-2-carboxylic acid
PubChem CID67317570
Molecular FormulaC6H9F2NO2
Molecular Weight165.14 g/mol
Exact Mass165.06
IUPAC Name4,4-difluoro-1-methylpyrrolidine-2-carboxylic acid
SMILESCN1CC(F)(F)CC1C(=O)O
InChIInChI=1S/C6H9F2NO2/c1-9-3-6(7,8)2-4(9)5(10)11/h4H,2-3H2,1H3,(H,10,11)
InChIKeyCWWIFJQKJYXFQK-UHFFFAOYSA-N
XLogP0.41
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.14
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-difluoro-1-methylpyrrolidine-2-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

Related Compounds

N-Acetyl-L-proline
CID 66141
(-)-Stachydrine
CID 115244
N-Methyl-L-proline
CID 643474
N-acetyl-D-proline
CID 719436
N,N-Dimethylproline
CID 448301
1-Methylpyrrolidine-2-carboxylic acid
CID 557
D-proline betaine
CID 7016562
DL-Acetylproline
CID 322640
Stachydrine Hydrochloride
CID 17751044
(2R)-1-methylpyrrolidine-2-carboxylic acid
CID 854034
1,1-Dimethylpyrrolidin-1-Ium-2-Carboxylate
CID 554
1-Butanoylpyrrolidine-2-carboxylic acid
CID 90941

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-methylpyrrolidine-2-carboxylic acid?
The IUPAC name of 4,4-difluoro-1-methylpyrrolidine-2-carboxylic acid (CID 67317570) is 4,4-difluoro-1-methylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4,4-difluoro-1-methylpyrrolidine-2-carboxylic acid?
The canonical SMILES for 4,4-difluoro-1-methylpyrrolidine-2-carboxylic acid is CN1CC(F)(F)CC1C(=O)O.
What is the InChIKey of 4,4-difluoro-1-methylpyrrolidine-2-carboxylic acid?
The InChIKey is CWWIFJQKJYXFQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9F2NO2/c1-9-3-6(7,8)2-4(9)5(10)11/h4H,2-3H2,1H3,(H,10,11).
What are the key properties of 4,4-difluoro-1-methylpyrrolidine-2-carboxylic acid?
4,4-difluoro-1-methylpyrrolidine-2-carboxylic acid has a molecular weight of 165.14 g/mol, XLogP of 0.41, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-methylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 67317570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).