Basic information
- CAS
101913-70-6- Standard SMILES
CC(=O)CC(=O)CC(O)(C(F)(F)F)C(F)(F)F- InChIKey
GFJDOGDBHNOIOK-UHFFFAOYSA-N- Molecular formula
- C8H8F6O3
- Average molar mass
- 266.14 g/mol
- Monoisotopic mass
- 266.03776309
Names & identifiers
- Preferred name
- 2,4-Heptanedione, 6-hydroxy-7,7,7-trifluoro-6-trifluoromethyl-
- IUPAC
- 7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptane-2,4-dione
- English name
- 6-Hydroxy-7,7,7-trifluoro-6-(trifluoromethyl)-2,4-heptanedione
- Molecular weight
- 0
Names & synonyms
101913-70-62,4-HEPTANEDIONE, 6-HYDROXY-7,7,7-TRIFLUORO-6-TRIFLUOROMETHYL-2-Hydroxy-1,1,1-trifluoro-2-trifluoromethyl-4,6-heptanedione6-Hydroxy-7,7,7-trifluoro-6-trifluoromethyl-2,4-heptanedioneDTXSID00144332RefChem:246736DTXCID50668237,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)heptane-2,4-dioneNSC1600176-Hydroxy-7,7,7-trifluoro-6-(trifluoromethyl)-2,4-heptanedioneNSC-1600172,4-Heptanedione, 7,7,7-trifluoro-6-hydroxy-6-(trifluoromethyl)-
Database identifiers
- CAS
101913-70-6- PubChem CID
- 59082
- DTXSID
DTXSID00144332- Nikkaji
- J73.622H
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 54.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 302
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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