Basic information
- CAS
898786-97-5- Standard SMILES
CC1(C)COC(CCCC(=O)c2ccc(F)c(F)c2)OC1- InChIKey
NFILZTPTSCTDQF-UHFFFAOYSA-N- Molecular formula
- C16H20F2O3
- Average molar mass
- 298.32 g/mol
- Monoisotopic mass
- 298.13805082
Names & identifiers
- Preferred name
- 3',4'-Difluoro-4-(5,5-dimethyl-1,3-dioxan-2-YL)butyrophenone
- IUPAC
- 1-(3,4-difluorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)butan-1-one
- English name
- 3',4'-DIFLUORO-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE
- Molecular formula
- C16H20F2O3
- Molecular weight
- 298.33
Names & synonyms
898786-97-53',4'-DIFLUORO-4-(5,5-DIMETHYL-1,3-DIOXAN-2-YL)BUTYROPHENONE1-(3,4-difluorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)butan-1-oneMFCD03844273DTXSID90645969AKOS016023357F2083643,4-Difluoro-4-(5,5-dimethyl-1,3-dioxan-2-yl)butyrophenone1-(3,4-Difluorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-1-butanone1-Butanone, 1-(3,4-difluorophenyl)-4-(5,5-dimethyl-1,3-dioxan-2-yl)-
Database identifiers
- CAS
898786-97-5- PubChem CID
- 24727872
- DTXSID
DTXSID90645969
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 349
Physicochemical properties
- Boiling point
- 381 · 381.0±32.0 °C(Predicted)
- Density
- 1.124 · 1.124±0.06 g/cm3(Predicted)
Chemistry & industry
Suppliers3 total
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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