Basic information
- CAS
296243-74-8- Standard SMILES
CC1(C)Cc2ccccc2C2=NNC(O)(C(F)(F)C(F)(F)C(F)(F)F)N21- InChIKey
VISLAHYTTBTJPT-UHFFFAOYSA-N- Molecular formula
- C15H14F7N3O
- Average molar mass
- 385.28 g/mol
- Monoisotopic mass
- 385.10250921
Names & identifiers
- Preferred name
- 3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5,5-dimethyl-2,3,5,6-tetrahydro[1,2,4]triazolo[3,4-a]isoquinolin-3-ol
- IUPAC
- 3-(1,1,2,2,3,3,3-heptafluoropropyl)-5,5-dimethyl-2,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinolin-3-ol
Names & synonyms
3-(1,1,2,2,3,3,3-Heptafluoropropyl)-5,5-dimethyl-2,3,5,6-tetrahydro[1,2,4]triazolo[3,4-a]isoquinolin-3-ol3-(1,1,2,2,3,3,3-heptafluoropropyl)-5,5-dimethyl-2,6-dihydro-[1,2,4]triazolo[3,4-a]isoquinolin-3-ol3-(heptafluoropropyl)-5,5-dimethyl-2,3,5,6-tetrahydro[1,2,4]triazolo[3,4-a]isoquinolin-3-olVISLAHYTTBTJPT-UHFFFAOYSA-NDTXSID501353403STK759284AKOS001737891ST45363225AG-205/154247921,2,4-Triazolo[3,4-a]isoquinolin-3-ol, 2,3,5,6-tetrahydro-3-heptafuoropropyl-5,5,-dimethyl-296243-74-83-(1,1,2,2,3,3,3-Heptafluoropropyl)-5,5-dimethyl-2,3,5,6-tetrahydro[1,2,4]triazolo[3,4-a]isoquinolin-3-ol #
Show more names
3-(Perfluoropropyl)-2,3,5,6-tetrahydro-5,5-dimethyl-1,2,4-triazolo[3,4-a]isoquinolin-3-ol
Database identifiers
- CAS
296243-74-8
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 47.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 2
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 619
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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