2-{[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]methyl}oxirane

• ChemBase ID: 98334
• Molecular Formular: C8H8F8O2
• Molecular Mass: 288.1351456
• Monoisotopic Mass: 288.03965526
• SMILES: O1CC1COCC(C(C(C(F)F)(F)F)(F)F)(F)F
• Canonical SMILES: FC(C(C(C(COCC1OC1)(F)F)(F)F)(F)F)F
• InChI: InChI=1S/C8H8F8O2/c9-5(10)7(13,14)8(15,16)6(11,12)3-17-1-4-2-18-4/h4-5H,1-3H2
• InChIKey: NABHRPSATHTFNS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-{[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]methyl}oxirane
• IUPAC Traditional name: 2-{[(2,2,3,3,4,4,5,5-octafluoropentyl)oxy]methyl}oxirane
• Synonyms: Glycidyl 2,2,3,3,4,4,5,5-octafluoropentyl ether; 3-(1H,1H,5H-Octafluoropentyloxy)-1,2-propenoxide 97%; 3-(1H,1H,5H八氟戊氧基)-1,2-氧化丙烯

Database IDs

• CAS Number: 19932-27-5
• MDL Number: MFCD00054692
• PubChem SID: 24870964; 162084778
• PubChem CID: 2775886

CALCULATED PROPERTIES

• Acid pKa: 19.789547
• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.53408
• LogD (pH = 7.4): 2.53408
• Log P: 2.53408
• Molar Refractivity: 40.3216 cm^3
• Polarizability: 15.782519 Å^3
• Polar Surface Area: 18.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 75-79 °C/4 mmHg(lit.); 75-79°C/4mm
• Flash Point: 107 °C; 224.6 °F
• Density: 1.509; 1.509 g/mL at 25 °C(lit.)
• Refractive Index: 1.353; n20/D 1.353(lit.)

Safety Information

• Storage Warning: Flammable
• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves

Product Information

• Purity: 96%
• Empirical Formula (Hill Notation): C8H8F8O2

DETAILS

Sigma Aldrich - 474169

Packaging
5 mL in glass bottle