Cinnamamide, alpha-methyl-m-trifluoromethyl-
Basic information
- CAS
100908-67-6- Standard SMILES
C/C(=C\c1cccc(C(F)(F)F)c1)C(N)=O- InChIKey
GTRACVMHUGGMSH-UHFFFAOYSA-N- Molecular formula
- C11H10F3NO
- Average molar mass
- 229.2 g/mol
- Monoisotopic mass
- 229.07144843
Names & identifiers
- Preferred name
- Cinnamamide, alpha-methyl-m-trifluoromethyl-
- IUPAC
- (E)-2-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
- English name
- 2-Propenamide, 2-methyl-3-(3-(trifluoromethyl)phenyl)-
- Molecular formula
- C11H10F3NO
- Molecular weight
- 229.2
Names & synonyms
100908-67-6CINNAMAMIDE, alpha-METHYL-m-TRIFLUOROMETHYL-RefChem:10816522-Propenamide, 2-methyl-3-(3-(trifluoromethyl)phenyl)-alpha-Methyl-m-trifluoromethylcinnamamide(E)-2-methyl-3-[3-(trifluoromethyl)phenyl]prop-2-enamideCHEMBL151885
Database identifiers
- CAS
100908-67-6- PubChem CID
- 6435640
- ChEMBL
CHEMBL151885- Nikkaji
- J75.226F
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 296
Physicochemical properties
- Boiling point
- 350.9 · 350.9±42.0 °C(Predicted)
- Density
- 1.266 · 1.266±0.06 g/cm3(Predicted)
- pka
- 15.56 · 15.56±0.50(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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