Basic information
- CAS
77302-28-4- Standard SMILES
C/C(C(N)=O)=C(\C)c1cccc(C(F)(F)F)c1- InChIKey
VTXRTWRNDAIGFQ-FPLPWBNLSA-N- Molecular formula
- C12H12F3NO
- Average molar mass
- 243.22 g/mol
- Monoisotopic mass
- 243.08709849
Names & identifiers
- Preferred name
- Cinnamamide, alpha,beta-dimethyl-m-trifluoromethyl-, (Z)-
- IUPAC
- (Z)-2-methyl-3-[3-(trifluoromethyl)phenyl]but-2-enamide
Names & synonyms
CINNAMAMIDE, alpha,beta-DIMETHYL-m-TRIFLUOROMETHYL-, (Z)-77302-28-4RefChem:10816332-Butenamide, 2-methyl-3-(3-(trifluoromethyl)phenyl)-, (Z)-cis-alpha,beta-Dimethyl-m-trifluoromethylcinnamamideCHEMBL348208
Database identifiers
- CAS
77302-28-4- PubChem CID
- 3033652
- ChEMBL
CHEMBL348208- Nikkaji
- J75.218E
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 333
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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