2-(propan-2-yl)-6-(trifluoromethyl)morpholine

• ChemBase ID: 282899
• Molecular Formular: C8H14F3NO
• Molecular Mass: 197.1980696
• Monoisotopic Mass: 197.10274873
• SMILES: C(C1OC(C(C)C)CNC1)(F)(F)F
• Canonical SMILES: CC(C1CNCC(O1)C(F)(F)F)C
• InChI: InChI=1S/C8H14F3NO/c1-5(2)6-3-12-4-7(13-6)8(9,10)11/h5-7,12H,3-4H2,1-2H3
• InChIKey: OGCMXEJMFKRACG-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(propan-2-yl)-6-(trifluoromethyl)morpholine
• IUPAC Traditional name: 2-isopropyl-6-(trifluoromethyl)morpholine
• Synonyms: 2-(propan-2-yl)-6-(trifluoromethyl)morpholine

Database IDs

• MDL Number: MFCD21602436
• PubChem SID: 180668430
• PubChem CID: 73994592

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.28457516
• LogD (pH = 7.4): 1.4115185
• Log P: 1.9075546
• Molar Refractivity: 42.3026 cm^3
• Polarizability: 16.360483 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 2.082

Product Information

• Purity: 95%