Skip to the beginning of the images gallery

1-(4-FLUOROPHENYL)-2-OXO-3-PYRROLIDINECARBOXYLIC ACID , CAS No.618070-30-7

COA

Cas Number: 618070-30-7
Molecular Weight: 223.206
PubChem CID: 4182007

In stock

Item Number

F171185

Grouped product items
SKU	Size	Availability	Price	Qty
F171185-25mg	25mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$410.90

Basic Description

Synonyms	1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid \| 618070-30-7 \| 1-(4-Fluoro-phenyl)-2-oxo-pyrrolidine-3-carboxylic acid \| GLASSYCARBON \| SCHEMBL1137236 \| DTXSID10400395 \| GKKWONDBUXUCHF-UHFFFAOYSA-N \| MFCD03932872 \| AKOS000169261 \| AKOS016843839 \| AB90928 \| AM807540 \| CS-0
Storage Temp	Room temperature
Shipped In	Normal

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Pyrrolidines
    - Subclass Phenylpyrrolidines

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Pyrrolidines
Subclass	Phenylpyrrolidines
Intermediate Tree Nodes	Not available
Direct Parent	Phenylpyrrolidines
Alternative Parents	Pyrrolidine carboxylic acids Oxoprolines Fluorobenzenes 1,3-dicarbonyl compounds Pyrrolidine-2-ones Aryl fluorides Tertiary carboxylic acid amides Pyrroles Lactams Monocarboxylic acids and derivatives Carboxylic acids Azacyclic compounds Hydrocarbon derivatives Organonitrogen compounds Organic oxides Organofluorides
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	1-phenylpyrrolidine - Oxoproline - Pyrrolidine carboxylic acid - Pyrrolidine carboxylic acid or derivatives - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - 1,3-dicarbonyl compound - 2-pyrrolidone - Pyrrolidone - Pyrrole - Tertiary carboxylic acid amide - Carboxamide group - Lactam - Carboxylic acid derivative - Carboxylic acid - Azacycle - Monocarboxylic acid or derivatives - Organooxygen compound - Organic oxygen compound - Organic nitrogen compound - Hydrocarbon derivative - Carbonyl group - Organonitrogen compound - Organic oxide - Organohalogen compound - Organofluoride - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as phenylpyrrolidines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyrrolidine ring through a CC or CN bond. Pyrrolidine is a five-membered saturated aliphatic heterocycle with one nitrogen atom and four carbon atoms.
External Descriptors	Not available
1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61. DOI: 10.1186/s13321-016-0174-y

Names and Identifiers

IUPAC Name	1-(4-fluorophenyl)-2-oxopyrrolidine-3-carboxylic acid
INCHI	InChI=1S/C11H10FNO3/c12-7-1-3-8(4-2-7)13-6-5-9(10(13)14)11(15)16/h1-4,9H,5-6H2,(H,15,16)
InChIKey	GKKWONDBUXUCHF-UHFFFAOYSA-N
Smiles	C1CN(C(=O)C1C(=O)O)C2=CC=C(C=C2)F
Isomeric SMILES	C1CN(C(=O)C1C(=O)O)C2=CC=C(C=C2)F
Molecular Weight	223.206
Reaxy-Rn	14460082
Reaxys-RN_link_address	https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=14460082&ln=

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	223.200 g/mol
XLogP3	1.800
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	223.064 Da
Monoisotopic Mass	223.064 Da
Topological Polar Surface Area	57.600 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	300.000
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
The total count of all stereochemical bonds	0
Covalently-Bonded Unit Count	1

Solution Calculators

Molarity Calculator

Determine the necessary mass, volume, or concentration for preparing a solution.

Mass

Concentration

Volume

M. Wt*

g/mol

*When preparing stock solutions, always use the batch-specific molecular weight of the product found on the vial label and the Certificate of Analysis (available online).

Dilution Calculator

Determine the dilution needed to prepare a stock solution.

Concentration 1 (C1)

Volume 1 (V1)

Concentration 2 (C2)

Volume 2 (V2)

Reconstitution Calculator

The reconstitution calculator enables you to quickly determine the volume of a reagent needed to reconstitute your vial. Just enter the mass of the reagent and the target concentration, and the calculator will do the rest.

Volume (to add to vial)

Mass (in vial)

Desired Reconstitution Concentration