1-Benzyl-4,4,5-trifluoro-5-(trifluoromethyl)triazole
Basic information
- CAS
5321-06-2- Standard SMILES
FC(F)(F)C1(F)N(Cc2ccccc2)N=NC1(F)F- InChIKey
AVIZTNIFRKIGIK-UHFFFAOYSA-N- Molecular formula
- C10H7F6N3
- Average molar mass
- 283.17 g/mol
- Monoisotopic mass
- 283.05441621
Names & identifiers
- Preferred name
- 1-Benzyl-4,4,5-trifluoro-5-(trifluoromethyl)triazole
- IUPAC
- 1-benzyl-4,4,5-trifluoro-5-(trifluoromethyl)triazole
Names & synonyms
NSC1378861-benzyl-4,4,5-trifluoro-5-(trifluoromethyl)triazoleNSC-137886DS-008608
Database identifiers
- CAS
5321-06-2- PubChem CID
- 283353
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 28 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 363
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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