1-(4-Ethoxyphenyl)-2,2,2-trifluoroethan-1-one
Basic information
- CAS
26902-76-1- Standard SMILES
CCOc1ccc(C(=O)C(F)(F)F)cc1- InChIKey
JGOGDWNXPIVNSJ-UHFFFAOYSA-N- Molecular formula
- C10H9F3O2
- Average molar mass
- 218.17 g/mol
- Monoisotopic mass
- 218.05546401
Names & identifiers
- Preferred name
- 1-(4-Ethoxyphenyl)-2,2,2-trifluoroethan-1-one
- IUPAC
- 1-(4-ethoxyphenyl)-2,2,2-trifluoroethanone
- English name
- 4'-Ethoxyl-2,2,2-trifluoroacetophenone
- Molecular formula
- C10H9F3O2
- Molecular weight
- 218.17
Names & synonyms
26902-76-11-(4-Ethoxyphenyl)-2,2,2-trifluoroethan-1-oneDTXSID90505332RefChem:225104DTXCID804561421-(4-ETHOXYPHENYL)-2,2,2-TRIFLUOROETHANONE4'-Ethoxy-2,2,2-trifluoroacetophenoneEthanone,1-(4-ethoxyphenyl)-2,2,2-trifluoro-MFCD07380759SCHEMBL8444552JGOGDWNXPIVNSJ-UHFFFAOYSA-NAKOS012258968
Show more names
2,2,2-Trifluoro-4'-ethoxyacetophenone4'-Ethoxyl-2,2,2-trifluoroacetophenoneEthanone, 1-(4-ethoxyphenyl)-2,2,2-trifluoro-Ethanone, 1-(4-ethoxyphenyl)-2,2,2-trifluoro- (9CI)
1-(4-ethoxyphenyl)-2,2,2-trifluoro-ethanoneH65849F396875
Database identifiers
- CAS
26902-76-1- PubChem CID
- 12640341
- DTXSID
DTXSID90505332
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 26.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 217
Physicochemical properties
- Boiling point
- 255 °C · 255 °C
- Density
- 1.226 · 1.226
- Flash point
- 105 °C · 105 °C
Chemistry & industry
Upstream & downstream products
Upstream raw materials
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…