1-[3-(Difluoromethoxy)phenyl]-3-(dimethylamino)prop-2-en-1-one
Basic information
- CAS
832741-15-8- Standard SMILES
CN(C)C=CC(=O)c1cccc(OC(F)F)c1- InChIKey
IZYFFZWYQKKIKP-UHFFFAOYSA-N- Molecular formula
- C12H13F2NO2
- Average molar mass
- 241.23 g/mol
- Monoisotopic mass
- 241.09143498
Names & identifiers
- Preferred name
- 1-[3-(Difluoromethoxy)phenyl]-3-(dimethylamino)prop-2-en-1-one
- IUPAC
- 1-[3-(difluoromethoxy)phenyl]-3-(dimethylamino)prop-2-en-1-one
- English name
- (2E)-1-[3-(difluoromethoxy)phenyl]-3-(dimethylamino)prop-2-en-1-one
- Molecular formula
- C12H13F2NO2
- Molecular weight
- 241.23
Names & synonyms
1-[3-(difluoromethoxy)phenyl]-3-(dimethylamino)prop-2-en-1-one832741-15-81-[3-(Difluoromethoxy)phenyl]-3-(dimethylamino)-2-propen-1-oneDTXSID101178900AKOS0302542002-Propen-1-one, 1-[3-(difluoromethoxy)phenyl]-3-(dimethylamino)-(2Z)-1-[3-(difluoromethoxy)phenyl]-3-(dimethylamino)prop-2-en-1-one(2E)-1-[3-(difluoromethoxy)phenyl]-3-(dimethylamino)prop-2-en-1-one
Database identifiers
- CAS
832741-15-8- PubChem CID
- 7017239
- DTXSID
DTXSID101178900
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 280
Physicochemical properties
- Boiling point
- 311.8 · 311.8±42.0 °C(Predicted)
- Density
- 1.167 · 1.167±0.06 g/cm3(Predicted)
- pka
- 6.34 · 6.34±0.70(Predicted)
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Related reactions
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Compound notes
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