Basic information
- Standard SMILES
O=Cc1cccc(C#Cc2ccc(OC(F)F)cc2)c1- InChIKey
XRIYKMYSDKITAS-UHFFFAOYSA-N- Molecular formula
- C16H10F2O2
- Average molar mass
- 272.24 g/mol
Names & identifiers
- Preferred name
- 3-{[4-(Difluoromethoxy)phenyl]ethynyl}benzaldehyde
- IUPAC
- 3-[2-[4-(difluoromethoxy)phenyl]ethynyl]benzaldehyde
Names & synonyms
3-{[4-(difluoromethoxy)phenyl]ethynyl}benzaldehydeSCHEMBL3456681
Database identifiers
- PubChem CID
- 57435855
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 374
Related reactions
4 records
Compound notes
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