3-fluoropyrrolidine hydrochloride

• ChemBase ID: 63204
• Molecular Formular: C4H9ClFN
• Molecular Mass: 125.5723632
• Monoisotopic Mass: 125.04075519
• SMILES: Cl.C1(CCNC1)F
• Canonical SMILES: FC1CNCC1.Cl
• InChI: InChI=1S/C4H8FN.ClH/c5-4-1-2-6-3-4;/h4,6H,1-3H2;1H
• InChIKey: LENYOXXELREKGZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 169750-17-8
• MDL Number: MFCD04038329
• PubChem SID: 162028943
• PubChem CID: 21975228

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

Physical Property

• Hydrophobicity(logP): 0.369

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: >95%; 95%; 95+%