3-fluoro-4-(morpholin-4-yl)aniline dihydrochloride

• ChemBase ID: 123669
• Molecular Formular: C10H15Cl2FN2O
• Molecular Mass: 269.1433032
• Monoisotopic Mass: 268.05454669
• SMILES: c1(N2CCOCC2)c(cc(cc1)N)F.Cl.Cl
• Canonical SMILES: Nc1ccc(c(c1)F)N1CCOCC1.Cl.Cl
• InChI: InChI=1S/C10H13FN2O.2ClH/c11-9-7-8(12)1-2-10(9)13-3-5-14-6-4-13;;/h1-2,7H,3-6,12H2;2*1H
• InChIKey: FDTZNRSWUIGIAR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-fluoro-4-(morpholin-4-yl)aniline dihydrochloride
• IUPAC Traditional name: 3-fluoro-4-(morpholin-4-yl)aniline dihydrochloride
• Synonyms: 3-fluoro-4-morpholinoaniline dihydrochloride

Database IDs

• PubChem SID: 162218022
• PubChem CID: 51051900

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.09651
• LogD (pH = 7.4): 1.1754587
• Log P: 1.1765652
• Molar Refractivity: 54.4779 cm^3
• Polarizability: 19.627449 Å^3
• Polar Surface Area: 38.49 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Salt Data: 2 HCl