(2S)-2-(fluoromethyl)pyrrolidine hydrochloride

• ChemBase ID: 799427
• Molecular Formular: C5H11ClFN
• Molecular Mass: 139.5989432
• Monoisotopic Mass: 139.05640526
• SMILES: Cl.N1[C@@H](CCC1)CF
• Canonical SMILES: FC[C@@H]1CCCN1.Cl
• InChI: InChI=1S/C5H10FN.ClH/c6-4-5-2-1-3-7-5;/h5,7H,1-4H2;1H/t5-;/m0./s1
• InChIKey: AUADADXQUIBHDA-JEDNCBNOSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• CAS Number: 787564-55-0

CALCULATED PROPERTIES

• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• 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

PROPERTIES

Product Information

• Purity: 98%