Basic information
- Standard SMILES
N#Cc1cc(-c2cnnc(-c3ccc(F)cc3F)n2)ccc1F- InChIKey
GAFCVPVSDXMBNF-UHFFFAOYSA-N- Molecular formula
- C16H7F3N4
- Average molar mass
- 312.25 g/mol
Names & identifiers
- Preferred name
- 5-[3-(2,4-Difluorophenyl)-[1,2,4]triazin-5-yl]-2-fluorobenzonitrile
- IUPAC
- 5-[3-(2,4-difluorophenyl)-1,2,4-triazin-5-yl]-2-fluorobenzonitrile
Names & synonyms
SCHEMBL2644597GAFCVPVSDXMBNF-UHFFFAOYSA-N5-[3-(2,4-difluorophenyl)-[1,2,4]triazin-5-yl]-2-fluorobenzonitrile
Database identifiers
- PubChem CID
- 9972774
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 454
Related reactions
2 records
Compound notes
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