Basic information
- Standard SMILES
C=C(c1nncc2cc(-c3cc(C(=O)OC)ccc3C)ccc12)C(F)(F)F- InChIKey
ISHWEMMBQPXSPK-UHFFFAOYSA-N- Molecular formula
- C20H15F3N2O2
- Average molar mass
- 372.3 g/mol
- Monoisotopic mass
- 372.10856221
Names & identifiers
- Preferred name
- Methyl 4-methyl-3-(1-(1,1,1-trifluoroprop-2-en-2-yl)phthalazin-6-yl)benzoate
- IUPAC
- methyl 4-methyl-3-[1-(3,3,3-trifluoroprop-1-en-2-yl)phthalazin-6-yl]benzoate
Names & synonyms
methyl 4-methyl-3-(1-(1,1,1-trifluoroprop-2-en-2-yl)phthalazin-6-yl)benzoateSCHEMBL396559
Database identifiers
- PubChem CID
- 66675460
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 52.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 566
Related reactions
6 records
Compound notes
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