2-chloro-1-ethoxy-1,1,2-trifluoroethane

• ChemBase ID: 7011
• Molecular Formular: C4H6ClF3O
• Molecular Mass: 162.5380496
• Monoisotopic Mass: 162.00592715
• SMILES: O(CC)C(C(F)Cl)(F)F
• Canonical SMILES: CCOC(C(Cl)F)(F)F
• InChI: InChI=1S/C4H6ClF3O/c1-2-9-4(7,8)3(5)6/h3H,2H2,1H3
• InChIKey: WOKICPFFJCXEDW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-chloro-1-ethoxy-1,1,2-trifluoroethane
• IUPAC Traditional name: ethoxyflurane
• Synonyms: 2-Chloro-1,1,2-trifluoroethyl ethyl ether; 2-Chloro-1,1,2-trifluoroethyl ethyl ether 97%

Database IDs

• CAS Number: 310-71-4
• MDL Number: MFCD00018849
• PubChem SID: 160970318
• PubChem CID: 136152

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 0
• LogD (pH = 5.5): 2.229259
• LogD (pH = 7.4): 2.229259
• Log P: 2.229259
• Molar Refractivity: 27.8051 cm^3
• Polarizability: 10.450854 Å^3
• Polar Surface Area: 9.23 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 82°C/630mm
• Density: 1.273
• Refractive Index: 1.3479; 1.348

Safety Information

• Storage Warning: FLAMMABLE; Flammable
• TSCA Listed: false

Product Information

• Purity: 97%