Basic information
- Standard SMILES
Cc1oc(-c2ccc(C(F)(F)F)cc2)cc1C=O- InChIKey
KHTXNCFPFSJHEJ-UHFFFAOYSA-N- Molecular formula
- C13H9F3O2
- Average molar mass
- 254.2 g/mol
- Monoisotopic mass
- 254.05546401
Names & identifiers
- Preferred name
- 2-Methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbaldehyde
- IUPAC
- 2-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbaldehyde
Names & synonyms
SCHEMBL3904591KHTXNCFPFSJHEJ-UHFFFAOYSA-NDB-4235662-methyl-5-[4-(trifluoromethyl)phenyl]furan-3-carbaldehyde2-Methyl-5-[4-(trifluoromethyl)phenyl]-3-furancarboxaldehyde476155-75-6
Database identifiers
- PubChem CID
- 21986390
Properties
Computed structural properties
- XLogP
- 3.4
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 295
Related reactions
2 records
Compound notes
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