(2R)-2-amino-3,3,3-trifluoropropan-1-ol

• ChemBase ID: 277716
• Molecular Formular: C3H6F3NO
• Molecular Mass: 129.0810496
• Monoisotopic Mass: 129.04014848
• SMILES: C([C@H](N)CO)(F)(F)F
• Canonical SMILES: OC[C@H](C(F)(F)F)N
• InChI: InChI=1S/C3H6F3NO/c4-3(5,6)2(7)1-8/h2,8H,1,7H2/t2-/m1/s1
• InChIKey: SGTSVIYDHWMNGL-UWTATZPHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-amino-3,3,3-trifluoropropan-1-ol
• IUPAC Traditional name: (2R)-2-amino-3,3,3-trifluoropropan-1-ol
• Synonyms: (2R)-2-amino-3,3,3-trifluoropropan-1-ol

Database IDs

• MDL Number: MFCD19686514
• PubChem SID: 164333626
• PubChem CID: 10887927

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

Physical Property

• Hydrophobicity(logP): -0.372

Product Information

• Purity: 95%