4-(4,4-difluoropentyl)pyrrolidine-2-carboxylic acid

C10H17F2NO2 — CID 21076029

IUPAC4-(4,4-difluoropentyl)pyrrolidine-2-carboxylic acid
SMILESCC(F)(F)CCCC1CNC(C(=O)O)C1
InChIInChI=1S/C10H17F2NO2/c1-10(11,12)4-2-3-7-5-8(9(14)15)13-6-7/h7-8,13H,2-6H2,1H3,(H,14,15)
InChIKeyPHNLWUOHMQIXNG-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.87
Rot. Bonds5

About 4-(4,4-difluoropentyl)pyrrolidine-2-carboxylic acid

4-(4,4-difluoropentyl)pyrrolidine-2-carboxylic acid (PubChem CID 21076029) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 4-(4,4-difluoropentyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(4,4-difluoropentyl)pyrrolidine-2-carboxylic acid
PubChem CID21076029
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name4-(4,4-difluoropentyl)pyrrolidine-2-carboxylic acid
SMILESCC(F)(F)CCCC1CNC(C(=O)O)C1
InChIInChI=1S/C10H17F2NO2/c1-10(11,12)4-2-3-7-5-8(9(14)15)13-6-7/h7-8,13H,2-6H2,1H3,(H,14,15)
InChIKeyPHNLWUOHMQIXNG-UHFFFAOYSA-N
XLogP1.87
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4-(4,4-difluoropentyl)pyrrolidine-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

Frequently Asked Questions

What is the IUPAC name of 4-(4,4-difluoropentyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(4,4-difluoropentyl)pyrrolidine-2-carboxylic acid (CID 21076029) is 4-(4,4-difluoropentyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(4,4-difluoropentyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(4,4-difluoropentyl)pyrrolidine-2-carboxylic acid is CC(F)(F)CCCC1CNC(C(=O)O)C1.
What is the InChIKey of 4-(4,4-difluoropentyl)pyrrolidine-2-carboxylic acid?
The InChIKey is PHNLWUOHMQIXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-10(11,12)4-2-3-7-5-8(9(14)15)13-6-7/h7-8,13H,2-6H2,1H3,(H,14,15).
What are the key properties of 4-(4,4-difluoropentyl)pyrrolidine-2-carboxylic acid?
4-(4,4-difluoropentyl)pyrrolidine-2-carboxylic acid has a molecular weight of 221.25 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,4-difluoropentyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 21076029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).