1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)-
Basic information
- CAS
95388-86-6- Standard SMILES
CC1(C)CC(C(F)(F)F)(C(F)(F)F)n2n(C(F)(F)F)n21- InChIKey
IYRJFKPSRCNEOA-UHFFFAOYSA-N- Molecular formula
- C8H8F9N3
- Average molar mass
- 317.15 g/mol
- Monoisotopic mass
- 317.05745073
Names & identifiers
- Preferred name
- 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)-
- IUPAC
- 2,2-dimethyl-4,4,6-tris(trifluoromethyl)-1,5,6-triazabicyclo[3.1.0]hexane
- English name
- 1,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromet hyl)-
- Molecular formula
- C8H8F9N3
- Molecular weight
- 317.15
Names & synonyms
95388-86-61,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)-1,5,6-Triazabicyclo[3.1.0]hexane, 4,4-dimethyl-2,2,6-tris(trifluoromethyl)-DTXSID109150152,2-dimethyl-4,4,6-tris(trifluoromethyl)-1,5,6-triazabicyclo[3.1.0]hexane1,5,6-Triazabicyclo[3.1.0]hexane, 2,2-dimethyl-4,4,6-tris(trifluoromethyl)-4,4-dimethyl-2,2,6-tris(trifluoromethyl)-1,5,6-triazabicyclo[3.1.0]hexaneReaxys ID: 50719361,5,6-Triazabicyclo(3.1.0)hexane, 4,4-dimethyl-2,2,6-tris(trifluoromet hyl)-
Database identifiers
- CAS
95388-86-6- PubChem CID
- 145284
- DTXSID
DTXSID10915015
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 14.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 0
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 406
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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