Basic information
- CAS
101952-35-6- Standard SMILES
CC(=O)OC(CC(=O)CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F- InChIKey
GXWCKSWSEYVETB-UHFFFAOYSA-N- Molecular formula
- C11H8F12O4
- Average molar mass
- 432.16 g/mol
- Monoisotopic mass
- 432.0230967
Names & identifiers
- Preferred name
- 4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, 2-acetate
- IUPAC
- [1,1,1,7,7,7-hexafluoro-6-hydroxy-4-oxo-2,6-bis(trifluoromethyl)heptan-2-yl] acetate
Names & synonyms
101952-35-64-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, 2-acetateRefChem:1070701NSC1623971,1,1,7,7,7-hexafluoro-6-hydroxy-4-oxo-2,6-bis(trifluoromethyl)heptan-2-yl acetate1,1,1,7,7,7-Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone, 2-acetate esterDTXSID00906891NSC-1623974-Heptanone,1,1,7,7,7-hexafluoro-6-hydroxy-2,6-bis(trifluoromethyl)-4-Heptanone, 2-(acetyloxy)-1,1,1,7,7,7-hexafluoro-6-hydroxy-2,6-bis(trifluoromethyl)-
Database identifiers
- CAS
101952-35-6- PubChem CID
- 59159
- DTXSID
DTXSID00906891- Nikkaji
- J73.652J
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 63.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 16
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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