1,1,1,2,2,3,3-Heptafluoro-6-hydroxy-7,7-dimethyl-5-octene-4-one
Basic information
- CAS
62773-05-1- Standard SMILES
CC(C)(C)/C(O)=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F- InChIKey
GCTMXWUUEYFTEL-PLNGDYQASA-N- Molecular formula
- C10H11F7O2
- Average molar mass
- 296.18 g/mol
- Monoisotopic mass
- 296.06472672
Names & identifiers
- Preferred name
- 1,1,1,2,2,3,3-Heptafluoro-6-hydroxy-7,7-dimethyl-5-octene-4-one
- IUPAC
- (Z)-1,1,1,2,2,3,3-heptafluoro-6-hydroxy-7,7-dimethyloct-5-en-4-one
Names & synonyms
62773-05-1SCHEMBL19299848DTXSID50276475GCTMXWUUEYFTEL-PLNGDYQASA-M1,1,1,2,2,3,3-Heptafluoro-6-hydroxy-7,7-dimethyl-5-octene-4-one6,6,7,7,8,8,8-HEPTAFLUORO-5-HYDROXY-2,2-DIMETHYLOCT-4-EN-3-ONENS001122631-(Perfluoropropyl)-1-hydroxy-4,4-dimethyl-penten-3-one
Database identifiers
- CAS
62773-05-1- PubChem CID
- 6858136
- DTXSID
DTXSID50276475- Nikkaji
- J1.054.803I、J1.367.430B、J2.523.439A、J2.795.707B
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 37.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 388
Experimental & physicochemical properties
PFASPFAS -> Other/unspecified
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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