2-amino-3-fluoropropan-1-ol hydrochloride

• ChemBase ID: 235533
• Molecular Formular: C3H9ClFNO
• Molecular Mass: 129.5610632
• Monoisotopic Mass: 129.03566981
• SMILES: C(N)(CF)CO.Cl
• Canonical SMILES: OCC(CF)N.Cl
• InChI: InChI=1S/C3H8FNO.ClH/c4-1-3(5)2-6;/h3,6H,1-2,5H2;1H
• InChIKey: YRUKCMQZXUNXTL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3-fluoropropan-1-ol hydrochloride
• IUPAC Traditional name: 2-amino-3-fluoropropan-1-ol hydrochloride
• Synonyms: 2-amino-3-fluoropropan-1-ol hydrochloride

Database IDs

• MDL Number: MFCD22056430
• PubChem SID: 164291443
• PubChem CID: 71755535

CALCULATED PROPERTIES

• Acid pKa: 15.041588
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -3.8062508
• LogD (pH = 7.4): -2.2491229
• Log P: -1.0548041
• Molar Refractivity: 20.4815 cm^3
• Polarizability: 8.201709 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): -1.113

Product Information

• Purity: 95%