Basic information
- Standard SMILES
CCOC(=O)C(C=Cc1cccc(F)c1)C(C)C- InChIKey
YYJCGKBTOFLWDT-UHFFFAOYSA-N- Molecular formula
- C15H19FO2
- Average molar mass
- 250.31 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-(3-fluorophenyl)-2-isopropyl-3-butenoate
- IUPAC
- ethyl 4-(3-fluorophenyl)-2-propan-2-ylbut-3-enoate
Names & synonyms
SCHEMBL11325339SCHEMBL11325343YYJCGKBTOFLWDT-UHFFFAOYSA-Nethyl 4-(3-fluorophenyl)-2-isopropyl-3-butenoate
Database identifiers
- PubChem CID
- 54533755
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 286
Related reactions
3 records
Compound notes
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