8-(Fluoromethyl)-1,3,7-trimethylpurine-2,6-dione
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Basic information
- Standard SMILES
Cn1c(=O)c2c(nc(CF)n2C)n(C)c1=O- InChIKey
AXXQFBYOHQLECI-UHFFFAOYSA-N- Molecular formula
- C9H11FN4O2
- Average molar mass
- 226.21 g/mol
Names & identifiers
- Preferred name
- 8-(Fluoromethyl)-1,3,7-trimethylpurine-2,6-dione
- IUPAC
- 8-(fluoromethyl)-1,3,7-trimethylpurine-2,6-dione
Names & synonyms
NSC278056SCHEMBL28993778NSC-278056
Database identifiers
- PubChem CID
- 322128
Properties
Computed structural propertiesFilling in
- XLogP
- 0.1
- Topological polar surface area
- 58.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 337
Related reactions
1 records
Compound notes
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