7,8,8-trimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-4,7-methanoindazole
Basic information
- CAS
308289-66-9- Standard SMILES
CC12CCC(c3c(C(F)(F)F)n[nH]c31)C2(C)C- InChIKey
SZNUQBWBVBCZCE-UHFFFAOYSA-N- Molecular formula
- C12H15F3N2
- Average molar mass
- 244.26 g/mol
- Monoisotopic mass
- 244.11873297
Names & identifiers
- Preferred name
- 7,8,8-trimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-4,7-methanoindazole
- IUPAC
- 1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene
- English name
- 7,8,8-Trimethyl-3-trifluoromethyl-4,5,6,7-tetrahydro-2H-4,7-methano-indazole
- Molecular formula
- C12H15F3N2
- Molecular weight
- 244.26
Names & synonyms
7,8,8-trimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-4,7-methanoindazole1212464-85-1Maybridge3_000889SCHEMBL14488446SZNUQBWBVBCZCE-UHFFFAOYSA-NHMS1433I09CCG-52254SBB040009STL058980AKOS000271291AKOS005711664AKOS016039346
Show more names
4,7-Methano-2H-indazole, 4,5,6,7-tetrahydro-7,8,8-trimethyl-3-(trifluoromethyl)-
IDI1_012276ST50213031AG-690/12767350SR-01000641499-1(4S,7R)-7,8,8-trimethyl-3-(trifluoromethyl)-4,5,6,7-tetrahydro-2H-4,7-methanoindazole1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene7,8,8-TRIMETHYL-3-TRIFLUOROMETHYL-4,5,6,7-TETRAHYDRO-2H-4,7-METHANO-INDAZOLE1,10,10-trimethyl-5-(trifluoromethyl)-3,4-diazatricyclo[5.2.1.0<2,6>]deca-2(6) ,4-diene
Database identifiers
- CAS
308289-66-9- PubChem CID
- 2802804
- EC Number
- 150-665-7
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 28.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 0
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 352
Physicochemical properties
- Boiling point
- 272.325 · 272.325±35.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.264 · 1.264±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
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Compound notes
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