1,1,1-trifluoro-2-(piperidin-2-yl)propan-2-ol

• ChemBase ID: 282315
• Molecular Formular: C8H14F3NO
• Molecular Mass: 197.1980696
• Monoisotopic Mass: 197.10274873
• SMILES: C(C(F)(F)F)(C1NCCCC1)(O)C
• Canonical SMILES: FC(C(C1CCCCN1)(O)C)(F)F
• InChI: InChI=1S/C8H14F3NO/c1-7(13,8(9,10)11)6-4-2-3-5-12-6/h6,12-13H,2-5H2,1H3
• InChIKey: QKQAPGVAPMLVNY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1-trifluoro-2-(piperidin-2-yl)propan-2-ol
• IUPAC Traditional name: 1,1,1-trifluoro-2-(piperidin-2-yl)propan-2-ol
• Synonyms: 1,1,1-trifluoro-2-(piperidin-2-yl)propan-2-ol

Database IDs

• MDL Number: MFCD17977197
• PubChem SID: 180667846
• PubChem CID: 50987532

CALCULATED PROPERTIES

• Acid pKa: 11.00044
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.7193593
• LogD (pH = 7.4): -0.25588995
• Log P: 1.3225927
• Molar Refractivity: 42.5564 cm^3
• Polarizability: 16.297155 Å^3
• Polar Surface Area: 32.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.483

Product Information

• Purity: 95%