2-(3,3,3-Trifluoro-1-propynyl)benzaldehyde
Basic information
- CAS
275386-61-3- Standard SMILES
O=Cc1ccccc1C#CC(F)(F)F- InChIKey
XZLZINDACNMZGU-UHFFFAOYSA-N- Molecular formula
- C10H5F3O
- Average molar mass
- 198.14 g/mol
- Monoisotopic mass
- 198.02924926
Names & identifiers
- Preferred name
- 2-(3,3,3-Trifluoro-1-propynyl)benzaldehyde
- IUPAC
- 2-(3,3,3-trifluoroprop-1-ynyl)benzaldehyde
Names & synonyms
2-(3,3,3-Trifluoro-1-propynyl)benzaldehyde2-(3,3,3-trifluoroprop-1-yn-1-yl)benzaldehydeSCHEMBL15427902XZLZINDACNMZGU-UHFFFAOYSA-NDTXSID0012550362-(3,3,3-Trifluoro-1-propyn-1-yl)benzaldehyde275386-61-3
Database identifiers
- CAS
275386-61-3- PubChem CID
- 89932869
- DTXSID
DTXSID001255036- Nikkaji
- J1.337.483J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 17.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 268
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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