2-[3-(trifluoromethyl)phenyl]morpholine

• ChemBase ID: 285993
• Molecular Formular: C11H12F3NO
• Molecular Mass: 231.2142896
• Monoisotopic Mass: 231.08709867
• SMILES: C(c1cc(C2OCCNC2)ccc1)(F)(F)F
• Canonical SMILES: FC(c1cccc(c1)C1CNCCO1)(F)F
• InChI: InChI=1S/C11H12F3NO/c12-11(13,14)9-3-1-2-8(6-9)10-7-15-4-5-16-10/h1-3,6,10,15H,4-5,7H2
• InChIKey: GXPYCYWPUGKQIJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(trifluoromethyl)phenyl]morpholine
• IUPAC Traditional name: 2-(M-CF3 phenyl)morpholine
• Synonyms: 2-[3-(trifluoromethyl)phenyl]morpholine

Database IDs

• MDL Number: MFCD00864259
• PubChem SID: 180671524
• PubChem CID: 65774

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.22772025
• LogD (pH = 7.4): 1.5066271
• 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

• Hydrophobicity(logP): 2.033

Product Information

• Purity: 95%