2-methyl-5-(trifluoromethyl)morpholine

• ChemBase ID: 282903
• Molecular Formular: C6H10F3NO
• Molecular Mass: 169.1449096
• Monoisotopic Mass: 169.07144861
• SMILES: C(C1NCC(OC1)C)(F)(F)F
• Canonical SMILES: CC1OCC(NC1)C(F)(F)F
• InChI: InChI=1S/C6H10F3NO/c1-4-2-10-5(3-11-4)6(7,8)9/h4-5,10H,2-3H2,1H3
• InChIKey: FOMQMFRRIIWKGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-methyl-5-(trifluoromethyl)morpholine
• IUPAC Traditional name: 2-methyl-5-(trifluoromethyl)morpholine
• Synonyms: 2-methyl-5-(trifluoromethyl)morpholine

Database IDs

• MDL Number: MFCD21602440
• PubChem SID: 180668434
• PubChem CID: 73994596

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): 1.0130936
• LogD (pH = 7.4): 1.019971
• Log P: 1.0200595
• Molar Refractivity: 33.307 cm^3
• Polarizability: 12.799162 Å^3
• Polar Surface Area: 21.26 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 1.154

Product Information

• Purity: 95%