3-amino-2-fluorophenol

• ChemBase ID: 240480
• Molecular Formular: C6H6FNO
• Molecular Mass: 127.1163432
• Monoisotopic Mass: 127.04334204
• SMILES: c1(c(N)cccc1O)F
• Canonical SMILES: Fc1c(N)cccc1O
• InChI: InChI=1S/C6H6FNO/c7-6-4(8)2-1-3-5(6)9/h1-3,9H,8H2
• InChIKey: XOHHXAVXXARHDY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-amino-2-fluorophenol
• IUPAC Traditional name: 3-amino-2-fluorophenol
• Synonyms: 3-amino-2-fluorophenol

Database IDs

• MDL Number: MFCD16999409
• PubChem SID: 164296390
• PubChem CID: 19896037

CALCULATED PROPERTIES

• Acid pKa: 8.791055
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): 0.98305273
• LogD (pH = 7.4): 0.9662782
• Log P: 0.9834565
• Molar Refractivity: 32.9557 cm^3
• Polarizability: 11.788998 Å^3
• Polar Surface Area: 46.25 Å^2
• Rotatable Bonds: 0
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.492

Product Information

• Purity: 95%