4-fluoropiperidine-4-carboxylic acid

• ChemBase ID: 277719
• Molecular Formular: C6H10FNO2
• Molecular Mass: 147.1475032
• Monoisotopic Mass: 147.06955679
• SMILES: C(=O)(C1(F)CCNCC1)O
• Canonical SMILES: OC(=O)C1(F)CCNCC1
• InChI: InChI=1S/C6H10FNO2/c7-6(5(9)10)1-3-8-4-2-6/h8H,1-4H2,(H,9,10)
• InChIKey: HCCMWFNZFOHBOA-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-fluoropiperidine-4-carboxylic acid
• IUPAC Traditional name: 4-fluoropiperidine-4-carboxylic acid
• Synonyms: 4-fluoropiperidine-4-carboxylic acid

Database IDs

• MDL Number: MFCD14584428
• PubChem SID: 164333629
• PubChem CID: 53393268

CALCULATED PROPERTIES

• Acid pKa: 3.5135796
• H Acceptors: 3
• H Donor: 2
• LogD (pH = 5.5): -2.7527363
• LogD (pH = 7.4): -2.7503026
• Log P: -2.7496314
• Molar Refractivity: 32.85 cm^3
• Polarizability: 12.942056 Å^3
• Polar Surface Area: 49.33 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -3.059

Product Information

• Purity: 95%