4-[3-(trifluoromethyl)phenyl]morpholine

• ChemBase ID: 797186
• Molecular Formular: C11H12F3NO
• Molecular Mass: 231.2142896
• Monoisotopic Mass: 231.08709867
• SMILES: C1COCCN1c1cc(ccc1)C(F)(F)F
• Canonical SMILES: FC(c1cccc(c1)N1CCOCC1)(F)F
• InChI: InChI=1S/C11H12F3NO/c12-11(13,14)9-2-1-3-10(8-9)15-4-6-16-7-5-15/h1-3,8H,4-7H2
• InChIKey: YLLQOPCLNNFYOK-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-[3-(trifluoromethyl)phenyl]morpholine
• IUPAC Traditional name: 4-[3-(trifluoromethyl)phenyl]morpholine
• Synonyms: 4-(3-(TrifluoroMethyl)phenyl)Morpholine

Database IDs

• CAS Number: 189065-49-4

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.7406328
• LogD (pH = 7.4): 2.7406375
• Log P: 2.7406378
• Molar Refractivity: 55.5348 cm^3
• Polarizability: 19.941496 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 97%