Basic information
- Standard SMILES
CCOC(=O)/C=C(\C)Oc1cccc(C(F)(F)F)c1- InChIKey
BJHYKWRNLNHIBU-VQHVLOKHSA-N- Molecular formula
- C13H13F3O3
- Average molar mass
- 274.23 g/mol
- Monoisotopic mass
- 274.08167876
Names & identifiers
- Preferred name
- (E)-3-(3-trifluoromethyl-phenoxy)-but-2-enoic acid ethyl ester
- IUPAC
- ethyl (E)-3-[3-(trifluoromethyl)phenoxy]but-2-enoate
Names & synonyms
(E)-3-(3-trifluoromethyl-phenoxy)-but-2-enoic acid ethyl esterSCHEMBL1068396
Database identifiers
- PubChem CID
- 66895231
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 337
Related reactions
2 records
Compound notes
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