2-(fluoromethyl)pyrrolidine

• ChemBase ID: 281933
• Molecular Formular: C5H10FN
• Molecular Mass: 103.1380032
• Monoisotopic Mass: 103.07972755
• SMILES: N1C(CF)CCC1
• Canonical SMILES: FCC1CCCN1
• InChI: InChI=1S/C5H10FN/c6-4-5-2-1-3-7-5/h5,7H,1-4H2
• InChIKey: WMCKMBIRRGZGLE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(fluoromethyl)pyrrolidine
• IUPAC Traditional name: 2-(fluoromethyl)pyrrolidine
• Synonyms: 2-(fluoromethyl)pyrrolidine

Database IDs

• MDL Number: MFCD08447281
• PubChem SID: 180667464
• PubChem CID: 22274592

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.733955
• LogD (pH = 7.4): -1.8920304
• Log P: 0.47367582
• Molar Refractivity: 26.5048 cm^3
• Polarizability: 10.442786 Å^3
• Polar Surface Area: 12.03 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.618

Product Information

• Purity: 95%