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Basic information
- Standard SMILES
N#Cc1ccc2c(c1)Oc1ccccc1C2=C1CC2CCC(C1)N2C(=O)C(F)(F)F- InChIKey
NOULJCKJWHBPMA-UHFFFAOYSA-N- Molecular formula
- C23H17F3N2O2
- Average molar mass
- 410.4 g/mol
Names & identifiers
- Preferred name
- 9-[8-(2,2,2-Trifluoro-acetyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-9H-xanthene-3-carbonitrile
- IUPAC
- 9-[8-(2,2,2-trifluoroacetyl)-8-azabicyclo[3.2.1]octan-3-ylidene]xanthene-3-carbonitrile
Names & synonyms
9-[8-(2,2,2-Trifluoro-acetyl)-8-aza-bicyclo[3.2.1]oct-3-ylidene]-9H-xanthene-3-carbonitrileSCHEMBL39666289-[8-(2,2,2-Trifluoro-acetyl)-8-aza-bicyclo[3.2.1 ]oct-3-ylidene]-9H-xanthene-3-carbonitrile
Database identifiers
- PubChem CID
- 57725339
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 0
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 782
Related reactions
5 records
Compound notes
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