1-ethoxy-1,1,2,3,3,3-hexafluoropropane

• ChemBase ID: 6508
• Molecular Formular: C5H6F6O
• Molecular Mass: 196.0909592
• Monoisotopic Mass: 196.03228413
• SMILES: C(C(C(OCC)(F)F)F)(F)(F)F
• Canonical SMILES: CCOC(C(C(F)(F)F)F)(F)F
• InChI: InChI=1S/C5H6F6O/c1-2-12-5(10,11)3(6)4(7,8)9/h3H,2H2,1H3
• InChIKey: DMECHFLLAQSVAD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethoxy-1,1,2,3,3,3-hexafluoropropane
• IUPAC Traditional name: 1-ethoxy-1,1,2,3,3,3-hexafluoropropane
• Synonyms: 1,1,1,2,3,3-Hexafluoropropyl ethyl ether; 1,1,2,3,3,3-Hexafluoropropyl ethyl ether 97%

Database IDs

• CAS Number: 380-34-7
• MDL Number: MFCD00236122
• PubChem SID: 160969815
• PubChem CID: 2775036

CALCULATED PROPERTIES

• Acid pKa: 14.990507
• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.5453491
• LogD (pH = 7.4): 2.5453491
• Log P: 2.5453491
• Molar Refractivity: 28.0467 cm^3
• Polarizability: 10.375595 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 71°C
• Density: 1.321
• Refractive Index: 1.305

Safety Information

• Storage Warning: IRRITANT; Irritant
• TSCA Listed: false

Product Information

• Purity: 97%