Basic information
- CAS
56728-12-2- Standard SMILES
COc1cc(C(COC(=O)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)F)ccc1OC(=O)C(F)(F)C(F)(F)F- InChIKey
IBBPTMDXVHITSG-UHFFFAOYSA-N- Molecular formula
- C18H9F15O7
- Average molar mass
- 622.2 g/mol
- Monoisotopic mass
- 622.0108751
Names & identifiers
- Preferred name
- Pentafluoropropionyl derivative of 3-methoxy-4-hydroxyphenylglycol
- IUPAC
- [2-[3-methoxy-4-(2,2,3,3,3-pentafluoropropanoyloxy)phenyl]-2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl] 2,2,3,3,3-pentafluoropropanoate
Names & synonyms
Pentafluoropropionyl derivative of 3-methoxy-4-hydroxyphenylglycolIBBPTMDXVHITSG-UHFFFAOYSA-NDTXSID00104537056728-12-2Propanoic acid, pentafluoro-, 1-[3-methoxy-4-(2,2,3,3,3-pentafluoro-1-oxopropoxy)phenyl]-1,2-ethanediyl ester4-Hydroxy-3-methoxyphenethylene glycol tripfp4-Hydroxy-3-methoxyphenyl-1,2-ethanediol,tris(pentafluoropropanoate)(ester)[2-[3-Methoxy-4-(perfluoropropanoyloxy)phenyl]-2-(perfluoropropanoyloxy)ethyl] perfluoropropanoate4-(1,2-Bis[(2,2,3,3,3-pentafluoropropanoyl)oxy]ethyl)-2-methoxyphenyl 2,2,3,3,3-pentafluoropropanoate #
Database identifiers
- CAS
56728-12-2- PubChem CID
- 577384
- DTXSID
DTXSID001045370- Nikkaji
- J543.263D
Properties
Computed structural properties
- XLogP
- 6.6
- Topological polar surface area
- 88.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 22
- Rotatable bonds
- 12
- Heavy atoms
- 40
- Formal charge
- 0
- Complexity
- 926
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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