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

• ChemBase ID: 38330
• Molecular Formular: C10H12FNO2
• Molecular Mass: 197.2061832
• Monoisotopic Mass: 197.08520685
• SMILES: c1(c(c(ccc1)F)N1CCOCC1)O
• Canonical SMILES: Oc1cccc(c1N1CCOCC1)F
• InChI: InChI=1S/C10H12FNO2/c11-8-2-1-3-9(13)10(8)12-4-6-14-7-5-12/h1-3,13H,4-7H2
• InChIKey: MKKSLSBDBSCOJM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-2-(morpholin-4-yl)phenol
• IUPAC Traditional name: 3-fluoro-2-(morpholin-4-yl)phenol
• Synonyms: 3-Fluoro-2-(N-morpholino)phenol

Database IDs

• MDL Number: MFCD11974209
• PubChem SID: 161001637
• PubChem CID: 46737213

CALCULATED PROPERTIES

• Acid pKa: 9.279626
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.7018541
• LogD (pH = 7.4): 1.696266
• Log P: 1.7019259
• Molar Refractivity: 51.7584 cm^3
• Polarizability: 19.120031 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