5-fluoro-2-(morpholin-4-yl)phenol

• ChemBase ID: 38331
• Molecular Formular: C10H12FNO2
• Molecular Mass: 197.2061832
• Monoisotopic Mass: 197.08520685
• SMILES: c1(c(ccc(c1)F)N1CCOCC1)O
• Canonical SMILES: Fc1ccc(c(c1)O)N1CCOCC1
• InChI: InChI=1S/C10H12FNO2/c11-8-1-2-9(10(13)7-8)12-3-5-14-6-4-12/h1-2,7,13H,3-6H2
• InChIKey: QVJQRJHJMJHQHR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-fluoro-2-(morpholin-4-yl)phenol
• IUPAC Traditional name: 5-fluoro-2-(morpholin-4-yl)phenol
• Synonyms: 5-Fluoro-2-(N-morpholino)phenol

Database IDs

• MDL Number: MFCD11974210
• PubChem SID: 161001638
• PubChem CID: 46737214

CALCULATED PROPERTIES

• Acid pKa: 9.108217
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7018186
• LogD (pH = 7.4): 1.6935551
• Log P: 1.7019259
• Molar Refractivity: 51.7584 cm^3
• Polarizability: 19.118853 Å^3
• Polar Surface Area: 32.7 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false