(3E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one
Basic information
- CAS
134219-70-8- Standard SMILES
O=C(/C=C/NCc1ccccc1)C(F)(F)F- InChIKey
ZVATZGWONTYIIZ-VOTSOKGWSA-N- Molecular formula
- C11H10F3NO
- Average molar mass
- 229.2 g/mol
Names & identifiers
- Preferred name
- (3E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one
- IUPAC
- (E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one
- English name
- (E)-4-(Benzylamino)-1,1,1-trifluoro-3-buten-2-one
- Molecular formula
- C11H10F3NO
- Molecular weight
- 229.2
Names & synonyms
134219-70-8(3E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one(E)-4-(benzylamino)-1,1,1-trifluorobut-3-en-2-one4-(benzylamino)-1,1,1-trifluorobut-3-en-2-oneHMS1765M03MFCD01931068AKOS001029005NCGC00340784-01AB01094309-034R-0611SR-01000409218SR-01000409218-1
Show more names
(E)-4-(Benzylamino)-1,1,1-trifluoro-3-buten-2-one3-Buten-2-one, 1,1,1-trifluoro-4-[(phenylmethyl)amino]-, (3E)-
Z56824224(E)-4-(benzylamino)-1,1,1-trifluoro-but-3-en-2-one
Database identifiers
- CAS
134219-70-8
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 29.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 254
Physicochemical properties
- Boiling point
- 257.3 · 257.3±40.0 °C(Predicted)
- Density
- 1 · 1+-.0.06 g/cm3(Predicted)
- pka
- 4.57 · 4.57±0.70(Predicted)
- HS Code
- 2922390090 · 2922390090
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
- hs_code
- 2922390090
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Compound notes
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