2-[4-(trifluoromethyl)phenyl]morpholine

• ChemBase ID: 118454
• Molecular Formular: C11H12F3NO
• Molecular Mass: 231.2142896
• Monoisotopic Mass: 231.08709867
• SMILES: C(c1ccc(C2OCCNC2)cc1)(F)(F)F
• Canonical SMILES: FC(c1ccc(cc1)C1OCCNC1)(F)F
• InChI: InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-8(2-4-9)10-7-15-5-6-16-10/h1-4,10,15H,5-7H2
• InChIKey: OMFWOWNSVWSVBC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[4-(trifluoromethyl)phenyl]morpholine
• IUPAC Traditional name: 2-[4-(trifluoromethyl)phenyl]morpholine
• Synonyms: 2-[4-(trifluoromethyl)phenyl]morpholine oxalate

Database IDs

• MDL Number: MFCD03840015
• PubChem SID: 162098460
• PubChem CID: 3756313

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.2595454
• LogD (pH = 7.4): 1.4746096
• Log P: 2.2507098
• Molar Refractivity: 54.0244 cm^3
• Polarizability: 20.284662 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Partition Coefficient: 2.30876

Product Information

• Purity: 95+%
• Salt Data: (COOH)2