2-[2-(trifluoromethyl)phenyl]morpholine

• ChemBase ID: 249176
• Molecular Formular: C11H12F3NO
• Molecular Mass: 231.2142896
• Monoisotopic Mass: 231.08709867
• SMILES: C(c1c(C2OCCNC2)cccc1)(F)(F)F
• Canonical SMILES: FC(c1ccccc1C1CNCCO1)(F)F
• InChI: InChI=1S/C11H12F3NO/c12-11(13,14)9-4-2-1-3-8(9)10-7-15-5-6-16-10/h1-4,10,15H,5-7H2
• InChIKey: SZXNAYXZJDWGIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

Database IDs

• MDL Number: MFCD11646231
• PubChem SID: 164305086
• PubChem CID: 17767061

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.15970677
• LogD (pH = 7.4): 1.5718501
• Log P: 2.2507098
• Molar Refractivity: 54.0244 cm^3
• Polarizability: 20.28467 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.033

Product Information

• Purity: 95%