2-cyano-N'-(4,4,4-trifluoro-3-oxo-1-phenylbutylidene)acetohydrazide
Basic information
- CAS
477862-81-0- Standard SMILES
N#CCC(=O)NN=C(CC(=O)C(F)(F)F)c1ccccc1- InChIKey
VFHMFYCKJAIAOI-UHFFFAOYSA-N- Molecular formula
- C13H10F3N3O2
- Average molar mass
- 297.23 g/mol
- Monoisotopic mass
- 297.07251106
Names & identifiers
- Preferred name
- 2-cyano-N'-(4,4,4-trifluoro-3-oxo-1-phenylbutylidene)acetohydrazide
- IUPAC
- 2-cyano-N-[(4,4,4-trifluoro-3-oxo-1-phenylbutylidene)amino]acetamide
- English name
- 2-Cyano-N'-[(E)-4,4,4-trifluoro-3-oxo-1-phenylbutylidene]acetohydrazide
- Molecular formula
- C13H10F3N3O2
- Molecular weight
- 297.23
Names & synonyms
2-cyano-N'-(4,4,4-trifluoro-3-oxo-1-phenylbutylidene)acetohydrazideDTXSID401150503AKOS0302442142-Cyanoacetic acid 2-(4,4,4-trifluoro-3-oxo-1-phenylbutylidene)hydrazide2-Cyano-N'-[(E)-4,4,4-trifluoro-3-oxo-1-phenylbutylidene]acetohydrazideAcetic acid, 2-cyano-, 2-(4,4,4-trifluoro-3-oxo-1-phenylbutylidene)hydrazide
Database identifiers
- CAS
477862-81-0- PubChem CID
- 4419862
- DTXSID
DTXSID401150503
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 82.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 471
Physicochemical properties
- 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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Related reactions
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Compound notes
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