3-(Trifluoromethyl)cinnamide
Basic information
- CAS
64380-24-1- Standard SMILES
NC(=O)/C=C/c1cccc(C(F)(F)F)c1- InChIKey
VETMUDCRMKPGOI-SNAWJCMRSA-N- Molecular formula
- C10H8F3NO
- Average molar mass
- 215.17 g/mol
- Monoisotopic mass
- 215.05579836
Overview
structure in first source
Names & identifiers
- Preferred name
- 3-(Trifluoromethyl)cinnamide
- IUPAC
- (E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamide
- English name
- 3-(trifluoromethyl)cinnamide
- Molecular formula
- C10H8F3NO
- Molecular weight
- 215.17
Names & synonyms
3-(Trifluoromethyl)cinnamide64380-24-12-Propenamide, 3-(3-(trifluoromethyl)phenyl)-, (E)-M-(trifluoromethyl)cinnamideMeta-(trifluoromethyl)cinnamide(E)-m-(trifluoromethyl)cinnamideRefChem:911099(E)-3-[3-(trifluoromethyl)phenyl]prop-2-enamideBRN 5003774CHEMBL107281m-(Trifluoromethyl)cinnamamidetrans-m-Trifluoromethylcinnamamide
Show more names
2-Propenamide, 3-[3-(trifluoromethyl)phenyl]-, (2E)-
CINNAMAMIDE, m-(TRIFLUOROMETHYL)-2-Propenamide, 3-(3-(trifluoromethyl)phenyl)-93040-58-5Cinnamamide, m-(trifluoromethyl)-, (E)-SCHEMBL1124017(Z)-m-(trifluoromethyl)cinnamideVETMUDCRMKPGOI-SNAWJCMRSA-NHMS1396K08
Database identifiers
- CAS
64380-24-1、93040-58-5- PubChem CID
- 875015
- ChEMBL
CHEMBL107281- Nikkaji
- J75.232K
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 43.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Physicochemical properties
- Melting point
- 95 · 95-97 °C
- Boiling point
- 347.8 · 347.8±42.0 °C(Predicted)
- Density
- 1.306 · 1.306±0.06 g/cm3(Predicted)
- pka
- 14.84 · 14.84±0.50(Predicted)
Chemistry & industry
Upstream & downstream products
Downstream products
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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