[4-(dimethylamino)-3-fluorophenyl]methanol

• ChemBase ID: 269367
• Molecular Formular: C9H12FNO
• Molecular Mass: 169.1960832
• Monoisotopic Mass: 169.09029223
• SMILES: c1(c(cc(cc1)CO)F)N(C)C
• Canonical SMILES: OCc1ccc(c(c1)F)N(C)C
• InChI: InChI=1S/C9H12FNO/c1-11(2)9-4-3-7(6-12)5-8(9)10/h3-5,12H,6H2,1-2H3
• InChIKey: IPYOLIXNVPEJJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [4-(dimethylamino)-3-fluorophenyl]methanol
• IUPAC Traditional name: [4-(dimethylamino)-3-fluorophenyl]methanol
• Synonyms: [4-(dimethylamino)-3-fluorophenyl]methanol

Database IDs

• MDL Number: MFCD10690069
• PubChem SID: 164325277
• PubChem CID: 33788166

CALCULATED PROPERTIES

• Acid pKa: 14.987801
• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.456634
• LogD (pH = 7.4): 1.4566418
• Log P: 1.4566418
• Molar Refractivity: 47.5189 cm^3
• Polarizability: 17.278074 Å^3
• Polar Surface Area: 23.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.583

Product Information

• Purity: 95%