(1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethan-1-ol

• ChemBase ID: 239032
• Molecular Formular: C10H14FNO
• Molecular Mass: 183.2226632
• Monoisotopic Mass: 183.10594229
• SMILES: c1(c(ccc(c1)F)[C@H](O)C)N(C)C
• Canonical SMILES: Fc1ccc(c(c1)N(C)C)[C@H](O)C
• InChI: InChI=1S/C10H14FNO/c1-7(13)9-5-4-8(11)6-10(9)12(2)3/h4-7,13H,1-3H3/t7-/m1/s1
• InChIKey: CZRCWUQOVNUWPC-SSDOTTSWSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethan-1-ol
• IUPAC Traditional name: (1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethanol
• Synonyms: (1R)-1-[2-(dimethylamino)-4-fluorophenyl]ethan-1-ol

Database IDs

• MDL Number: MFCD22392047
• PubChem SID: 164294942
• PubChem CID: 71756315

CALCULATED PROPERTIES

• Acid pKa: 14.718333
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.8730829
• LogD (pH = 7.4): 1.8732152
• Log P: 1.8732169
• Molar Refractivity: 51.9377 cm^3
• Polarizability: 19.110806 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.892

Product Information

• Purity: 95%