Ethyl 3-[4-(trifluoromethyl)phenyl]prop-2-enoate
Basic information
- CAS
101466-85-7- Standard SMILES
CCOC(=O)C=Cc1ccc(C(F)(F)F)cc1- InChIKey
AUMBJIRASKDNSF-UHFFFAOYSA-N- Molecular formula
- C12H11F3O2
- Average molar mass
- 244.21 g/mol
- Monoisotopic mass
- 244.07111408
Names & identifiers
- Preferred name
- Ethyl 3-[4-(trifluoromethyl)phenyl]prop-2-enoate
- IUPAC
- ethyl 3-[4-(trifluoromethyl)phenyl]prop-2-enoate
- English name
- 2-Propenoic acid, 3-[4-(trifluoromethyl)phenyl]-, ethyl ester
- Molecular formula
- C12H11F3O2
- Molecular weight
- 244.21
Names & synonyms
Ethyl 3-[4-(trifluoromethyl)phenyl]prop-2-enoateEthyl 3-[4-(trifluoromethyl)phenyl]-2-propenoateSCHEMBL1689727Ethyl 4-trifluoromethylcinnamateDTXSID707057724-trifluoromethylcinnamic acid ethyl esterEthyl 3-(4-(trifluoromethyl)phenyl)acrylate2-Propenoic acid, 3-[4-(trifluoromethyl)phenyl]-, ethyl ester
Database identifiers
- CAS
101466-85-7- PubChem CID
- 53662772
- DTXSID
DTXSID70705772
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 276
Physicochemical properties
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 261 · P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P261-P301+P312-P302+P352-P304+P340-P305+P351+P338
Related reactions
10 records
Compound notes
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