1H,1H-heptafluorobutyl epoxide

• Catalog: OFC1765920
• CAS: 1765-92-0
• Category: Fluorinated Cyclic Ethers
• Synonyms: 4,4,5,5,6,6,6-Heptafluoro-1,2-epoxyhexane
• Purity: 97%
• MDL Number: MFCD00155825

• IUPAC Name: 2-(2,2,3,3,4,4,4-heptafluorobutyl)oxirane
• InChI: InChI=1S/C6H5F7O/c7-4(8,1-3-2-14-3)5(9,10)6(11,12)13/h3H,1-2H2
• InChI Key: YXNWXQYDINSHJC-UHFFFAOYSA-N
• Isomeric SMILES: C1C(O1)CC(C(C(F)(F)F)(F)F)(F)F
• EC Number: 621-556-6

• Molecular Formula: C6H5F7O
• Molecular Weight: 226.09
• Boiling Point: 108-109 °C (720 mmHg)

• XLogP3-AA: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 3
• Exact Mass: 226.02286191 g/mol
• Monoisotopic Mass: 226.02286191 g/mol
• Topological Polar Surface Area: 12.5Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 221