2-amino-3,3,3-trifluoropropan-1-ol hydrochloride

• ChemBase ID: 802254
• Molecular Formular: C3H7ClF3NO
• Molecular Mass: 165.5419896
• Monoisotopic Mass: 165.01682619
• SMILES: Cl.C(C(C(F)(F)F)N)O
• Canonical SMILES: OCC(C(F)(F)F)N.Cl
• InChI: InChI=1S/C3H6F3NO.ClH/c4-3(5,6)2(7)1-8;/h2,8H,1,7H2;1H
• InChIKey: HIRRLLQTXSVEDV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-amino-3,3,3-trifluoropropan-1-ol hydrochloride
• IUPAC Traditional name: 2-amino-3,3,3-trifluoropropan-1-ol hydrochloride
• Synonyms: 2-AMINO-3,3,3-TRIFLUOROPROPAN-1-OL HYDROCHLORIDE

CALCULATED PROPERTIES

• Acid pKa: 14.831621
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -0.42004958
• LogD (pH = 7.4): -0.30242395
• Log P: -0.30069757
• Molar Refractivity: 21.3314 cm^3
• Polarizability: 8.158513 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%