3-fluoropyrrolidine

• ChemBase ID: 68175
• Molecular Formular: C4H8FN
• Molecular Mass: 89.1114232
• Monoisotopic Mass: 89.06407748
• SMILES: N1CC(CC1)F
• Canonical SMILES: FC1CNCC1
• InChI: InChI=1S/C4H8FN/c5-4-1-2-6-3-4/h4,6H,1-3H2
• InChIKey: CDDGNGVFPQRJJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoropyrrolidine
• IUPAC Traditional name: 3-fluoropyrrolidine
• Synonyms: 3-Fluoropyrrolidine

Database IDs

• CAS Number: 116574-74-4
• MDL Number: MFCD06738454
• PubChem SID: 162033907
• PubChem CID: 3744989

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

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 95+%; 98%