Basic information
- Standard SMILES
Nn1nc(C(F)(F)F)c2ccccc2c1=O- InChIKey
STXNYKBDNAZIAT-UHFFFAOYSA-N- Molecular formula
- C9H6F3N3O
- Average molar mass
- 229.16 g/mol
Names & identifiers
- Preferred name
- 2-amino-4-(trifluoromethyl)phthalazin-1(2H)-one
- IUPAC
- 2-amino-4-(trifluoromethyl)phthalazin-1-one
Names & synonyms
2-amino-4-(trifluoromethyl)phthalazin-1(2H)-one1309195-35-4SCHEMBL1788702DB-1345002-Amino-4-(trifluoromethyl)-1(2h)-phthalazinone
Database identifiers
- PubChem CID
- 67161111
Properties
Computed structural properties
- XLogP
- 1.6
- Topological polar surface area
- 58.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 339
Related reactions
25 records
Compound notes
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