Basic information
- Standard SMILES
Cc1ncnc(Cl)c1C#Cc1ccc(C(F)(F)F)cc1- InChIKey
QQNHUBABFJAEPG-UHFFFAOYSA-N- Molecular formula
- C14H8ClF3N2
- Average molar mass
- 296.67 g/mol
Names & identifiers
- Preferred name
- 4-Chloro-6-methyl-5-{[4-(trifluoromethyl)phenyl]ethynyl}pyrimidine
- IUPAC
- 4-chloro-6-methyl-5-[2-[4-(trifluoromethyl)phenyl]ethynyl]pyrimidine
Names & synonyms
4-Chloro-6-methyl-5-{[4-(trifluoromethyl)phenyl]ethynyl}pyrimidineSCHEMBL9996539
Database identifiers
- PubChem CID
- 86660705
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 25.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 390
Related reactions
5 records
Compound notes
Loading…