Basic information
- CAS
101913-86-4- Standard SMILES
CC[NH+](CC)CC.CC[NH+](CC)CC.O=C(CC([O-])(C(F)(F)F)C(F)(F)F)CC([O-])(C(F)(F)F)C(F)(F)F- InChIKey
NQLSKSUBOBVYGL-UHFFFAOYSA-P- Molecular formula
- C21H36F12N2O3
- Average molar mass
- 592.5 g/mol
- Monoisotopic mass
- 592.253431
Names & identifiers
- Preferred name
- 4-heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, bis(triethylamine)salt
- IUPAC
- 1,1,1,7,7,7-hexafluoro-4-oxo-2,6-bis(trifluoromethyl)heptane-2,6-diolate;bis(triethylazanium)
- English name
- 4-HEPTANONE, 2,6-BIS(TRIFLUOROMETHYL)-2,6-DIHYDROXY-1,1,1,7,7,7-HEXAFL UORO-, BIS
- Molecular formula
- C21H36F12N2O3
- Molecular weight
- 592.5029784
Names & synonyms
101913-86-44-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, bis(triethylamine)saltDTXSID00144337RefChem:292998DTXCID00668281,1,1,7,7,7-hexafluoro-4-oxo-2,6-bis(trifluoromethyl)heptane-2,6-diolate;triethylazanium4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-,?bis(triethylamine)saltBis(N,N-diethylethanaminium) 1,1,1,7,7,7-hexafluoro-4-oxo-2,6-bis(trifluoromethyl)heptane-2,6-bis(olate)1,1,1,7,7,7-Hexafluoro-4-oxo-2,6-bis(trifluoromethyl)heptane-2,6-diolate4-HEPTANONE, 2,6-BIS(TRIFLUOROMETHYL)-2,6-DIHYDROXY-1,1,1,7,7,7-HEXAFL UORO-, BIS
Database identifiers
- CAS
101913-86-4- PubChem CID
- 59098
- DTXSID
DTXSID00144337
Properties
Computed structural properties
- Topological polar surface area
- 72.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 10
- Heavy atoms
- 38
- Formal charge
- 0
- Complexity
- 424
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…