(2R)-1-[2-(2-chlorophenyl)acetyl]-2-fluoropyrrolidine-2-carboxylic acid

C13H13ClFNO3 — CID 54293033

IUPAC(2R)-1-[2-(2-chlorophenyl)acetyl]-2-fluoropyrrolidine-2-carboxylic acid
SMILESO=C(Cc1ccccc1Cl)N1CCC[C@@]1(F)C(=O)O
InChIInChI=1S/C13H13ClFNO3/c14-10-5-2-1-4-9(10)8-11(17)16-7-3-6-13(16,15)12(18)19/h1-2,4-5H,3,6-8H2,(H,18,19)/t13-/m0/s1
InChIKeyRYVOBIQRFHWMAP-ZDUSSCGKSA-N
MW285.70 g/mol
LogP2.26
Rot. Bonds3

About (2R)-1-[2-(2-chlorophenyl)acetyl]-2-fluoropyrrolidine-2-carboxylic acid

(2R)-1-[2-(2-chlorophenyl)acetyl]-2-fluoropyrrolidine-2-carboxylic acid (PubChem CID 54293033) has the molecular formula C13H13ClFNO3 and a molecular weight of 285.70 g/mol. Its IUPAC name is (2R)-1-[2-(2-chlorophenyl)acetyl]-2-fluoropyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2R)-1-[2-(2-chlorophenyl)acetyl]-2-fluoropyrrolidine-2-carboxylic acid
PubChem CID54293033
Molecular FormulaC13H13ClFNO3
Molecular Weight285.70 g/mol
Exact Mass285.06
IUPAC Name(2R)-1-[2-(2-chlorophenyl)acetyl]-2-fluoropyrrolidine-2-carboxylic acid
SMILESO=C(Cc1ccccc1Cl)N1CCC[C@@]1(F)C(=O)O
InChIInChI=1S/C13H13ClFNO3/c14-10-5-2-1-4-9(10)8-11(17)16-7-3-6-13(16,15)12(18)19/h1-2,4-5H,3,6-8H2,(H,18,19)/t13-/m0/s1
InChIKeyRYVOBIQRFHWMAP-ZDUSSCGKSA-N
XLogP2.26
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.70
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[2-(2-chlorophenyl)acetyl]-2-fluoropyrrolidine-2-carboxylic acid?
The IUPAC name of (2R)-1-[2-(2-chlorophenyl)acetyl]-2-fluoropyrrolidine-2-carboxylic acid (CID 54293033) is (2R)-1-[2-(2-chlorophenyl)acetyl]-2-fluoropyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2R)-1-[2-(2-chlorophenyl)acetyl]-2-fluoropyrrolidine-2-carboxylic acid?
The canonical SMILES for (2R)-1-[2-(2-chlorophenyl)acetyl]-2-fluoropyrrolidine-2-carboxylic acid is O=C(Cc1ccccc1Cl)N1CCC[C@@]1(F)C(=O)O.
What is the InChIKey of (2R)-1-[2-(2-chlorophenyl)acetyl]-2-fluoropyrrolidine-2-carboxylic acid?
The InChIKey is RYVOBIQRFHWMAP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H13ClFNO3/c14-10-5-2-1-4-9(10)8-11(17)16-7-3-6-13(16,15)12(18)19/h1-2,4-5H,3,6-8H2,(H,18,19)/t13-/m0/s1.
What are the key properties of (2R)-1-[2-(2-chlorophenyl)acetyl]-2-fluoropyrrolidine-2-carboxylic acid?
(2R)-1-[2-(2-chlorophenyl)acetyl]-2-fluoropyrrolidine-2-carboxylic acid has a molecular weight of 285.70 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[2-(2-chlorophenyl)acetyl]-2-fluoropyrrolidine-2-carboxylic acid is sourced from PubChem (CID 54293033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).