5-(4,4-difluoro-2,2-dimethylpyrrolidin-1-yl)pentanoic acid

C11H19F2NO2 — CID 163404203

IUPAC5-(4,4-difluoro-2,2-dimethylpyrrolidin-1-yl)pentanoic acid
SMILESCC1(C)CC(F)(F)CN1CCCCC(=O)O
InChIInChI=1S/C11H19F2NO2/c1-10(2)7-11(12,13)8-14(10)6-4-3-5-9(15)16/h3-8H2,1-2H3,(H,15,16)
InChIKeyWIJVPRPXBKWQBJ-UHFFFAOYSA-N
MW235.27 g/mol
LogP2.36
Rot. Bonds5

About 5-(4,4-difluoro-2,2-dimethylpyrrolidin-1-yl)pentanoic acid

5-(4,4-difluoro-2,2-dimethylpyrrolidin-1-yl)pentanoic acid (PubChem CID 163404203) has the molecular formula C11H19F2NO2 and a molecular weight of 235.27 g/mol. Its IUPAC name is 5-(4,4-difluoro-2,2-dimethylpyrrolidin-1-yl)pentanoic acid.

Molecular Properties

Compound Name5-(4,4-difluoro-2,2-dimethylpyrrolidin-1-yl)pentanoic acid
PubChem CID163404203
Molecular FormulaC11H19F2NO2
Molecular Weight235.27 g/mol
Exact Mass235.14
IUPAC Name5-(4,4-difluoro-2,2-dimethylpyrrolidin-1-yl)pentanoic acid
SMILESCC1(C)CC(F)(F)CN1CCCCC(=O)O
InChIInChI=1S/C11H19F2NO2/c1-10(2)7-11(12,13)8-14(10)6-4-3-5-9(15)16/h3-8H2,1-2H3,(H,15,16)
InChIKeyWIJVPRPXBKWQBJ-UHFFFAOYSA-N
XLogP2.36
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.27
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(4,4-difluoro-2,2-dimethylpyrrolidin-1-yl)pentanoic 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 5-(4,4-difluoro-2,2-dimethylpyrrolidin-1-yl)pentanoic acid?
The IUPAC name of 5-(4,4-difluoro-2,2-dimethylpyrrolidin-1-yl)pentanoic acid (CID 163404203) is 5-(4,4-difluoro-2,2-dimethylpyrrolidin-1-yl)pentanoic acid.
What is the SMILES notation for 5-(4,4-difluoro-2,2-dimethylpyrrolidin-1-yl)pentanoic acid?
The canonical SMILES for 5-(4,4-difluoro-2,2-dimethylpyrrolidin-1-yl)pentanoic acid is CC1(C)CC(F)(F)CN1CCCCC(=O)O.
What is the InChIKey of 5-(4,4-difluoro-2,2-dimethylpyrrolidin-1-yl)pentanoic acid?
The InChIKey is WIJVPRPXBKWQBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2NO2/c1-10(2)7-11(12,13)8-14(10)6-4-3-5-9(15)16/h3-8H2,1-2H3,(H,15,16).
What are the key properties of 5-(4,4-difluoro-2,2-dimethylpyrrolidin-1-yl)pentanoic acid?
5-(4,4-difluoro-2,2-dimethylpyrrolidin-1-yl)pentanoic acid has a molecular weight of 235.27 g/mol, XLogP of 2.36, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4,4-difluoro-2,2-dimethylpyrrolidin-1-yl)pentanoic acid is sourced from PubChem (CID 163404203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).