Basic information
- CAS
581812-94-4- Standard SMILES
CCOC(=O)/C=C(\C)c1ccc(C(F)(F)F)cc1- InChIKey
SBBOWUUUTVPICX-CMDGGOBGSA-N- Molecular formula
- C13H13F3O2
- Average molar mass
- 258.24 g/mol
- Monoisotopic mass
- 258.08676432
Names & identifiers
- Preferred name
- ethyl(2E)-3-[4-(trifluoromethyl)phenyl]-2-butenoate
- IUPAC
- ethyl (E)-3-[4-(trifluoromethyl)phenyl]but-2-enoate
Names & synonyms
581812-94-4ethyl(2E)-3-[4-(trifluoromethyl)phenyl]-2-butenoateethyl (2E)-3-[4-(trifluoromethyl)phenyl]-2-butenoate2-Butenoic acid, 3-[4-(trifluoromethyl)phenyl]-, ethyl ester, (2E)-SCHEMBL6383098ethyl (2E)-3-[4-(trifluoromethyl)phenyl]but-2-enoateDTXSID801218280ethyl 3-[4-(trifluoromethyl)phenyl]but-2-enoateEN300-18486355doi:10.14272/SBBOWUUUTVPICX-CMDGGOBGSA-N.1Ethyl (E)-3-(4-(trifluoromethyl)phenyl)but-2-enoate
Database identifiers
- CAS
581812-94-4- PubChem CID
- 69760751
- DTXSID
DTXSID801218280- Nikkaji
- J3.467.149D
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 313
Related reactions
3 records
Compound notes
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