Basic information
- Standard SMILES
COc1ccc(CC(C#N)(C#N)CCC(F)(F)F)cc1- InChIKey
GNJQYBCEGVPTDK-UHFFFAOYSA-N- Molecular formula
- C14H13F3N2O
- Average molar mass
- 282.26 g/mol
Names & identifiers
- Preferred name
- 2-(4-Methoxybenzyl)-2-(3,3,3-trifluoropropyl)malononitrile
- IUPAC
- 2-[(4-methoxyphenyl)methyl]-2-(3,3,3-trifluoropropyl)propanedinitrile
Names & synonyms
2-(4-methoxybenzyl)-2-(3,3,3-trifluoropropyl)malononitrileSCHEMBL4657428
Database identifiers
- PubChem CID
- 22235014
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 56.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 391
Related reactions
3 records
Compound notes
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