(2-amino-3-fluorophenyl)methanol

• ChemBase ID: 242552
• Molecular Formular: C7H8FNO
• Molecular Mass: 141.1429232
• Monoisotopic Mass: 141.0589921
• SMILES: c1(c(CO)cccc1F)N
• Canonical SMILES: OCc1cccc(c1N)F
• InChI: InChI=1S/C7H8FNO/c8-6-3-1-2-5(4-10)7(6)9/h1-3,10H,4,9H2
• InChIKey: INHMLQNOOUDYIQ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2-amino-3-fluorophenyl)methanol
• IUPAC Traditional name: (2-amino-3-fluorophenyl)methanol
• Synonyms: (2-amino-3-fluorophenyl)methanol

Database IDs

• MDL Number: MFCD12923270
• PubChem SID: 164298462
• PubChem CID: 45116727

CALCULATED PROPERTIES

• Acid pKa: 14.828316
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.51962405
• LogD (pH = 7.4): 0.51967144
• Log P: 0.51967204
• Molar Refractivity: 37.7907 cm^3
• Polarizability: 13.620657 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.17

Product Information

• Purity: 95%