3-fluoropyrrolidine-2-carboxylic acid

• ChemBase ID: 244047
• Molecular Formular: C5H8FNO2
• Molecular Mass: 133.1209232
• Monoisotopic Mass: 133.05390672
• SMILES: OC(=O)C1NCCC1F
• Canonical SMILES: FC1CCNC1C(=O)O
• InChI: InChI=1S/C5H8FNO2/c6-3-1-2-7-4(3)5(8)9/h3-4,7H,1-2H2,(H,8,9)
• InChIKey: WLGLSRHRSYWDST-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoropyrrolidine-2-carboxylic acid
• IUPAC Traditional name: 3-fluoropyrrolidine-2-carboxylic acid
• Synonyms: 3-fluoropyrrolidine-2-carboxylic acid

Database IDs

• MDL Number: MFCD22628430
• PubChem SID: 164299957
• PubChem CID: 20301147

CALCULATED PROPERTIES

• Acid pKa: 1.6330781
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.8250084
• LogD (pH = 7.4): -2.8271341
• Log P: -2.825035
• Molar Refractivity: 27.6901 cm^3
• Polarizability: 11.141679 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -2.62

Product Information

• Purity: null%