Basic information
- CAS
95388-88-8- Standard SMILES
CC1(c2ccccc2)CC(C(F)(F)F)(C(F)(F)F)n2n(C(F)(F)F)n21- InChIKey
PTIRVBOPZPHAQT-UHFFFAOYSA-N- Molecular formula
- C13H10F9N3
- Average molar mass
- 379.22 g/mol
- Monoisotopic mass
- 379.07310079
Names & identifiers
- Preferred name
- 1,5,6-Triazabicyclo(3.1.0)hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl-
- IUPAC
- 2-methyl-2-phenyl-4,4,6-tris(trifluoromethyl)-1,5,6-triazabicyclo[3.1.0]hexane
Names & synonyms
95388-88-81,5,6-Triazabicyclo(3.1.0)hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl-1,5,6-Triazabicyclo[3.1.0]hexane, 4-methyl-2,2,6-tris(trifluoromethyl)-4-phenyl-DTXSID509150142-methyl-2-phenyl-4,4,6-tris(trifluoromethyl)-1,5,6-triazabicyclo[3.1.0]hexane1,5,6-Triazabicyclo[3.1.0]hexane, 2-methyl-2-phenyl-4,4,6-tris(trifluoromethyl)
Database identifiers
- CAS
95388-88-8- PubChem CID
- 145285
- DTXSID
DTXSID50915014
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 14.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 1
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 520
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…