Basic information
- CAS
35443-90-4- Standard SMILES
O=C(C=C(C(F)(F)F)C(F)(F)F)c1ccc([N+](=O)[O-])cc1- InChIKey
UVIHANWKDUFDPA-UHFFFAOYSA-N- Molecular formula
- C11H5F6NO3
- Average molar mass
- 313.15 g/mol
- Monoisotopic mass
- 313.01736199
Names & identifiers
- Preferred name
- Crotonophenone, 4'-nitro-4,4,4-trifluoro-3-(trifluoromethyl)-
- IUPAC
- 4,4,4-trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)but-2-en-1-one
- English name
- 1-(4-Nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-one
- Molecular formula
- C11H5F6NO3
- Molecular weight
- 313.15
Names & synonyms
35443-90-4NSC 160217BRN 2168162CROTONOPHENONE, 4'-NITRO-4,4,4-TRIFLUORO-3-(TRIFLUOROMETHYL)-p-Nitro-4,4,4-trifluoro-3-trifluoromethylcrotonophenoneDTXSID601889341-(p-Nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-oneRefChem:334514DTXCID201114251-(4-Nitrophenyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-one4,4,4-trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)but-2-en-1-oneNSC160217
Show more names
2-Buten-1-one, 4,4,4-trifluoro-1-(4-nitrophenyl)-3-(trifluoromethyl)-
NSC-160217DB-2588404'-Nitro-4,4,4-trifluoro-3-(trifluoromethyl)crotonophenone
Database identifiers
- CAS
35443-90-4- PubChem CID
- 37136
- DTXSID
DTXSID60188934
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 62.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 424
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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