1,1,1-trifluoro-2-[(2-methoxyethoxy)methoxy]ethane

• ChemBase ID: 63860
• Molecular Formular: C6H11F3O3
• Molecular Mass: 188.1449496
• Monoisotopic Mass: 188.06602887
• SMILES: C(OCOCCOC)C(F)(F)F
• Canonical SMILES: COCCOCOCC(F)(F)F
• InChI: InChI=1S/C6H11F3O3/c1-10-2-3-11-5-12-4-6(7,8)9/h2-5H2,1H3
• InChIKey: VELOOMPEOHFDNC-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1-trifluoro-2-[(2-methoxyethoxy)methoxy]ethane
• IUPAC Traditional name: 1,1,1-trifluoro-2-[(2-methoxyethoxy)methoxy]ethane
• Synonyms: 1,1,1-Trifluoro-2-[(2-methoxyethoxy)methoxy]ethane

Database IDs

• CAS Number: 130156-55-7
• MDL Number: MFCD18325133
• PubChem SID: 162029599
• PubChem CID: 10976236

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.0957956
• LogD (pH = 7.4): 1.0957956
• Log P: 1.0957956
• Molar Refractivity: 35.3591 cm^3
• Polarizability: 13.578757 Å^3
• Polar Surface Area: 27.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: IRRITANT
• TSCA Listed: false

Product Information

• Purity: 96%