1,1,1-Trifluoro-4-{[(4-fluorophenyl)methoxy]amino}pent-3-en-2-one
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Basic information
- CAS
303986-96-1- Standard SMILES
CC(=CC(=O)C(F)(F)F)NOCc1ccc(F)cc1- InChIKey
QTSAKYBYVXAEEW-UHFFFAOYSA-N- Molecular formula
- C12H11F4NO2
- Average molar mass
- 277.21 g/mol
- Monoisotopic mass
- 277.07259124
Names & identifiers
- Preferred name
- 1,1,1-Trifluoro-4-{[(4-fluorophenyl)methoxy]amino}pent-3-en-2-one
- IUPAC
- 1,1,1-trifluoro-4-[(4-fluorophenyl)methoxyamino]pent-3-en-2-one
- English name
- (E)-1,1,1-TRIFLUORO-4-([(4-FLUOROBENZYL)OXY]AMINO)-3-PENTEN-2-ONE
- Molecular formula
- C12H11F4NO2
- Molecular weight
- 277.22
Names & synonyms
1,1,1-trifluoro-4-{[(4-fluorophenyl)methoxy]amino}pent-3-en-2-oneAKOS030243685(E)-1,1,1-TRIFLUORO-4-([(4-FLUOROBENZYL)OXY]AMINO)-3-PENTEN-2-ONE3-Penten-2-one, 1,1,1-trifluoro-4-[[(4-fluorophenyl)methoxy]amino]-
Database identifiers
- CAS
303986-96-1- PubChem CID
- 2767656
Properties
Computed structural propertiesFilling in
- XLogP
- 3.9
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 333
Physicochemical properties
- Boiling point
- 264.1 · 264.1±50.0 °C(Predicted)
- Density
- 1.291 · 1.291±0.06 g/cm3(Predicted)
- pka
- -0.94 · -0.94±0.70(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302-H315-H319-H335
- Precautionary statements
- 280 · P280-P305+P351+P338
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H302-H315-H319-H335
- Precautionary statements
- P280-P305+P351+P338
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Compound notes
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