Basic information
- Standard SMILES
CC(Oc1nncc2cc(Cl)ccc12)C(F)(F)F- InChIKey
IEQHLQKPMXLMPJ-UHFFFAOYSA-N- Molecular formula
- C11H8ClF3N2O
- Average molar mass
- 276.64 g/mol
- Monoisotopic mass
- 276.0277251
Names & identifiers
- Preferred name
- Phthalazine, 6-chloro-1-(2,2,2-trifluoro-1-methylethoxy)-
- IUPAC
- 6-chloro-1-(1,1,1-trifluoropropan-2-yloxy)phthalazine
Names & synonyms
Phthalazine, 6-chloro-1-(2,2,2-trifluoro-1-methylethoxy)-SCHEMBL3982906-chloro-1-(1,1,1-trifluoropropan-2-yloxy)phthalazine
Database identifiers
- PubChem CID
- 66675982
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 290
Related reactions
2 records
Compound notes
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