(2S)-1-fluoropropan-2-amine hydrochloride

• ChemBase ID: 235901
• Molecular Formular: C3H9ClFN
• Molecular Mass: 113.5616632
• Monoisotopic Mass: 113.04075519
• SMILES: Cl.N[C@H](CF)C
• Canonical SMILES: C[C@@H](CF)N.Cl
• InChI: InChI=1S/C3H8FN.ClH/c1-3(5)2-4;/h3H,2,5H2,1H3;1H/t3-;/m0./s1
• InChIKey: FHXAJBGANRCCBG-DFWYDOINSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-1-fluoropropan-2-amine hydrochloride
• IUPAC Traditional name: (2S)-1-fluoropropan-2-amine hydrochloride
• Synonyms: (2S)-1-fluoropropan-2-amine hydrochloride

Database IDs

• MDL Number: MFCD22196467
• PubChem SID: 164291811
• PubChem CID: 11851333

CALCULATED PROPERTIES

• Log P: -0.007894078
• Molar Refractivity: 18.9378 cm^3
• Polarizability: 7.501957 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true
• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -2.9392262
• LogD (pH = 7.4): -1.7068872

PROPERTIES

Physical Property

• Melting Point: 121 - 123°C
• Hydrophobicity(logP): -0.103

Product Information

• Purity: 95%