Basic information
- Standard SMILES
N#CC(c1cccc(F)c1)C(CC(=O)OC1=CC(=O)CCC1)c1ccc(F)cc1- InChIKey
VQJZIXJYGJFTEE-UHFFFAOYSA-N- Molecular formula
- C23H19F2NO3
- Average molar mass
- 395.4 g/mol
Names & identifiers
- Preferred name
- 3-Oxocyclohex-1-en-1-yl 4-cyano-4-(3-fluorophenyl)-3-(4-fluorophenyl)butanoate
- IUPAC
- (3-oxocyclohexen-1-yl) 4-cyano-4-(3-fluorophenyl)-3-(4-fluorophenyl)butanoate
Names & synonyms
SCHEMBL14637345VQJZIXJYGJFTEE-UHFFFAOYSA-N3-Oxocyclohex-1-en-1-yl 4-cyano-4-(3-fluorophenyl)-3-(4-fluorophenyl)butanoate
Database identifiers
- PubChem CID
- 71226646
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 67.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 675
Related reactions
1 records
Compound notes
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