2-Allylhexafluoroisopropanol

• Catalog Number: ACM646979
• Product Name: 2-Allylhexafluoroisopropanol
• CAS: 646-97-9
• Category: Heterocyclic Organic Compound
• IUPAC Name: 1,1,1-trifluoro-2-(trifluoromethyl)pent-4-en-2-ol
• Molecular Weight: 208.1g/mol
• Molecular Formula: C6H6F6O
• Canonical SMILES: C=CCC(C(F)(F)F)(C(F)(F)F)O
• InChI: InChI=1S/C6H6F6O/c1-2-3-4(13,5(7,8)9)6(10,11)12/h2,13H,1,3H2
• InChI Key: VHSCQANAKTXZTG-UHFFFAOYSA-N
• Complexity: 176
• Covalently-Bonded Unit Count: 1
• Exact Mass: 208.032284g/mol
• Formal Charge: 0
• H-Bond Acceptor: 7
• H-Bond Donor: 1
• Heavy Atom Count: 13
• Monoisotopic Mass: 208.032284g/mol
• NSC Number: 309805
• Rotatable Bond Count: 2
• XLogP3: 2.8