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

C10H17F2NO2 — CID 21076014

IUPAC4-(2,2-difluoropentyl)pyrrolidine-2-carboxylic acid
SMILESCCCC(F)(F)CC1CNC(C(=O)O)C1
InChIInChI=1S/C10H17F2NO2/c1-2-3-10(11,12)5-7-4-8(9(14)15)13-6-7/h7-8,13H,2-6H2,1H3,(H,14,15)
InChIKeyBFJBJMGZMFMNAW-UHFFFAOYSA-N
MW221.25 g/mol
LogP1.87
Rot. Bonds5

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

4-(2,2-difluoropentyl)pyrrolidine-2-carboxylic acid (PubChem CID 21076014) has the molecular formula C10H17F2NO2 and a molecular weight of 221.25 g/mol. Its IUPAC name is 4-(2,2-difluoropentyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,2-difluoropentyl)pyrrolidine-2-carboxylic acid
PubChem CID21076014
Molecular FormulaC10H17F2NO2
Molecular Weight221.25 g/mol
Exact Mass221.12
IUPAC Name4-(2,2-difluoropentyl)pyrrolidine-2-carboxylic acid
SMILESCCCC(F)(F)CC1CNC(C(=O)O)C1
InChIInChI=1S/C10H17F2NO2/c1-2-3-10(11,12)5-7-4-8(9(14)15)13-6-7/h7-8,13H,2-6H2,1H3,(H,14,15)
InChIKeyBFJBJMGZMFMNAW-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

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3-Propyl-L-proline
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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoropentyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 4-(2,2-difluoropentyl)pyrrolidine-2-carboxylic acid (CID 21076014) is 4-(2,2-difluoropentyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 4-(2,2-difluoropentyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 4-(2,2-difluoropentyl)pyrrolidine-2-carboxylic acid is CCCC(F)(F)CC1CNC(C(=O)O)C1.
What is the InChIKey of 4-(2,2-difluoropentyl)pyrrolidine-2-carboxylic acid?
The InChIKey is BFJBJMGZMFMNAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2NO2/c1-2-3-10(11,12)5-7-4-8(9(14)15)13-6-7/h7-8,13H,2-6H2,1H3,(H,14,15).
What are the key properties of 4-(2,2-difluoropentyl)pyrrolidine-2-carboxylic acid?
4-(2,2-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-(2,2-difluoropentyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 21076014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).