Basic information
- Standard SMILES
O=Cc1ncn2c(-c3cccc(C(F)(F)F)c3)ccnc12- InChIKey
PUFXZSLKMYTPJD-UHFFFAOYSA-N- Molecular formula
- C14H8F3N3O
- Average molar mass
- 291.23 g/mol
- Monoisotopic mass
- 291.06194637
Names & identifiers
- Preferred name
- 4-(alpha,alpha,alpha-Trifluoro-m-tolyl)imidazo[1,5-a]pyrimidine-8-carboxaldehyde
- IUPAC
- 4-[3-(trifluoromethyl)phenyl]imidazo[1,5-a]pyrimidine-8-carbaldehyde
Names & synonyms
4-(alpha,alpha,alpha-Trifluoro-m-tolyl)imidazo[1,5-a]pyrimidine-8-carboxaldehydeSCHEMBL11481444
Database identifiers
- PubChem CID
- 23329869
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 47.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 390
Related reactions
3 records
Compound notes
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