2,2,3,3,5,5,6,6-octafluoro-4-(trifluoromethyl)morpholine

• ChemBase ID: 6752
• Molecular Formular: C5F11NO
• Molecular Mass: 299.0420352
• Monoisotopic Mass: 298.98042405
• SMILES: C1(C(OC(C(N1C(F)(F)F)(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(N1C(F)(F)C(F)(F)OC(C1(F)F)(F)F)(F)F
• InChI: InChI=1S/C5F11NO/c6-1(7)3(10,11)18-4(12,13)2(8,9)17(1)5(14,15)16
• InChIKey: PQMAKJUXOOVROI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2,2,3,3,5,5,6,6-octafluoro-4-(trifluoromethyl)morpholine
• IUPAC Traditional name: perfluoro-4-methylmorpholine
• Synonyms: Perfluoro-N-methylmorpholine; Perfluoro(N-methylmorpholine) 98%; 2,2,3,3,5,5,6,6-Octafluoro-4-(trifluoromethyl)morpholine; Perfluoro(4-methylmorpholine); 全氟(N-甲基吗啉)

Database IDs

• CAS Number: 382-28-5
• EC Number: 206-841-1
• MDL Number: MFCD00042442
• PubChem SID: 160970059
• PubChem CID: 67839

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 4.9530067
• LogD (pH = 7.4): 4.9530067
• Log P: 4.9530067
• Molar Refractivity: 27.9301 cm^3
• Polarizability: 11.961199 Å^3
• Polar Surface Area: 12.47 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 50°C
• Flash Point: none°C
• Density: 1.7

Safety Information

• Storage Warning: IRRITANT; Irritant
• European Hazard Symbols: Irritant (Xi)
• Risk Statements: 36/37/38
• Safety Statements: 26-37
• TSCA Listed: false; 是
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319-H335
• GHS Precautionary statements: P261-P305+P351+P338-P302+P352-P321-P405-P501A

Product Information

• Purity: 98%