3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid

C11H11F2NO2 — CID 106534590

IUPAC3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1NCCC1c1cc(F)cc(F)c1
InChIInChI=1S/C11H11F2NO2/c12-7-3-6(4-8(13)5-7)9-1-2-14-10(9)11(15)16/h3-5,9-10,14H,1-2H2,(H,15,16)
InChIKeyOTQXRXDVTICUJB-UHFFFAOYSA-N
MW227.21 g/mol
LogP1.49
Rot. Bonds2

About 3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid

3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid (PubChem CID 106534590) has the molecular formula C11H11F2NO2 and a molecular weight of 227.21 g/mol. Its IUPAC name is 3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid
PubChem CID106534590
Molecular FormulaC11H11F2NO2
Molecular Weight227.21 g/mol
Exact Mass227.08
IUPAC Name3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1NCCC1c1cc(F)cc(F)c1
InChIInChI=1S/C11H11F2NO2/c12-7-3-6(4-8(13)5-7)9-1-2-14-10(9)11(15)16/h3-5,9-10,14H,1-2H2,(H,15,16)
InChIKeyOTQXRXDVTICUJB-UHFFFAOYSA-N
XLogP1.49
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.21
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid (CID 106534590) is 3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid is O=C(O)C1NCCC1c1cc(F)cc(F)c1.
What is the InChIKey of 3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid?
The InChIKey is OTQXRXDVTICUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2NO2/c12-7-3-6(4-8(13)5-7)9-1-2-14-10(9)11(15)16/h3-5,9-10,14H,1-2H2,(H,15,16).
What are the key properties of 3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid?
3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid has a molecular weight of 227.21 g/mol, XLogP of 1.49, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-difluorophenyl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 106534590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).