(3S)-3-fluoropyrrolidine hydrochloride

• ChemBase ID: 812741
• Molecular Formular: C4H9ClFN
• Molecular Mass: 125.5723632
• Monoisotopic Mass: 125.04075519
• SMILES: Cl.N1C[C@H](CC1)F
• Canonical SMILES: F[C@@H]1CNCC1.Cl
• InChI: InChI=1S/C4H8FN.ClH/c5-4-1-2-6-3-4;/h4,6H,1-3H2;1H/t4-;/m0./s1
• InChIKey: LENYOXXELREKGZ-WCCKRBBISA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (3S)-3-fluoropyrrolidine hydrochloride
• IUPAC Traditional name: (3S)-3-fluoropyrrolidine hydrochloride
• Synonyms: (S)-(+)-3-FLUOROPYRROLIDINE HYDROCHLORIDE

Database IDs

• CAS Number: 136725-53-6

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%