(3R)-3-fluoropyrrolidine

• ChemBase ID: 799559
• Molecular Formular: C4H8FN
• Molecular Mass: 89.1114232
• Monoisotopic Mass: 89.06407748
• SMILES: N1C[C@@H](CC1)F
• Canonical SMILES: F[C@H]1CNCC1
• InChI: InChI=1S/C4H8FN/c5-4-1-2-6-3-4/h4,6H,1-3H2/t4-/m1/s1
• InChIKey: CDDGNGVFPQRJJM-SCSAIBSYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3R)-3-fluoropyrrolidine
• IUPAC Traditional name: (3R)-3-fluoropyrrolidine
• Synonyms: (R)-3-fluoropyrrolidine

Database IDs

• CAS Number: 679431-51-7

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -3.2308958
• LogD (pH = 7.4): -2.2204583
• Log P: -0.043686844
• Molar Refractivity: 21.8602 cm^3
• Polarizability: 8.618149 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%