Basic information
- CAS
101913-85-3- Standard SMILES
OC(CC(CC(O)(C(F)(F)F)C(F)(F)F)=NN=C(CC(O)(C(F)(F)F)C(F)(F)F)CC(O)(C(F)(F)F)C(F)(F)F)(C(F)(F)F)C(F)(F)F- InChIKey
HDXYKTXHFBJCQB-UHFFFAOYSA-N- Molecular formula
- C18H12F24N2O4
- Average molar mass
- 776.3 g/mol
- Monoisotopic mass
- 776.0413828
Names & identifiers
- Preferred name
- 4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, azine
- IUPAC
- 1,1,1,7,7,7-hexafluoro-4-[[1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)heptan-4-ylidene]hydrazinylidene]-2,6-bis(trifluoromethyl)heptane-2,6-diol
Names & synonyms
4-Heptanone, 2,6-bis(trifluoromethyl)-2,6-dihydroxy-1,1,1,7,7,7-hexafluoro-, azine101913-85-3DTXSID401443361,1,1,7,7,7-Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone azineRefChem:292997DTXCID5066827NSC659205CHEMBL1976646NSC-659205NCI60_0208661,1,1,7,7,7-Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone (4,4,4-trifluoro-3-hydroxy-1-(3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl)-3-(trifluoromethyl)butylidene)hydrazone1,1,1,7,7,7-hexafluoro-4-[[4,4,4-trifluoro-3-hydroxy-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-3-(trifluoromethyl)butylidene]hydrazono]-2,6-bis(trifluoromethyl)heptane-2,6-diol
Show more names
4,4'-Hydrazinediylidenebis[1,1,1,7,7,7-hexafluoro-2,6-bis(trifluoromethyl)heptane-2,6-diol]4-Heptanone, 1,1,1,7,7,7-hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-,?2-[4,4,4-trifluoro-3-hydroxy-1-[3,3,3-trifluoro-2-hydroxy-2-(trifluoromethyl)propyl]-3-(trifluoromethyl)butylidene]hydrazone
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 106 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 30
- Rotatable bonds
- 9
- Heavy atoms
- 48
- Formal charge
- 0
- Complexity
- 945
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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