Basic information
- Standard SMILES
COC(=O)c1cccc2c1c1c(n2Cc2ccccc2C(F)(F)F)CCCC1=O- InChIKey
LLEOFYFCHLBTBJ-UHFFFAOYSA-N- Molecular formula
- C22H18F3NO3
- Average molar mass
- 401.4 g/mol
Names & identifiers
- Preferred name
- 9-[(2-trifluoromethylphenyl)methyl]-5-carbomethoxy-1,2-dihydrocarbazol-4(3H)-one
- IUPAC
- methyl 5-oxo-9-[[2-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-6H-carbazole-4-carboxylate
Names & synonyms
9-[(2-trifluoromethylphenyl)methyl]-5-carbomethoxy-1,2-dihydrocarbazol-4(3H)-oneSCHEMBL6691602
Database identifiers
- PubChem CID
- 22738596
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 48.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 637
Related reactions
3 records
Compound notes
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