Basic information
- Standard SMILES
CC(C)c1nc2nc(C(F)F)nc(Cl)c2[nH]1- InChIKey
ZSMLAOUEFJIOQY-UHFFFAOYSA-N- Molecular formula
- C9H9ClF2N4
- Average molar mass
- 246.64 g/mol
Names & identifiers
- Preferred name
- 6-chloro-2-(difluoromethyl)-8-propan-2-yl-7H-purine
- IUPAC
- 6-chloro-2-(difluoromethyl)-8-propan-2-yl-7H-purine
Names & synonyms
SCHEMBL14993916ZSMLAOUEFJIOQY-UHFFFAOYSA-N6-chloro-2-(difluoromethyl)-8-propan-2-yl-7H-purine
Database identifiers
- PubChem CID
- 89601552
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Related reactions
1 records
Compound notes
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