Basic information
- Standard SMILES
C=CCC(CCc1cccc(C(F)(F)F)c1)C(=O)OCC- InChIKey
HXBGINSFRYYAFD-UHFFFAOYSA-N- Molecular formula
- C16H19F3O2
- Average molar mass
- 300.32 g/mol
Names & identifiers
- Preferred name
- 2-[2-(3-Trifluoromethylphenyl)ethyl]pent-4-enoic acid ethyl ester
- IUPAC
- ethyl 2-[2-[3-(trifluoromethyl)phenyl]ethyl]pent-4-enoate
Names & synonyms
2-[2-(3-trifluoromethylphenyl)ethyl]pent-4-enoic acid ethyl esterSCHEMBL4420435
Database identifiers
- PubChem CID
- 69036865
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 8
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 339
Related reactions
6 records
Compound notes
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