Basic information
- CAS
35444-04-3- Standard SMILES
N#Cc1ccc(C(=O)C=C(C(F)(F)F)C(F)(F)F)cc1- InChIKey
YIEXXKXHFFEEFO-UHFFFAOYSA-N- Molecular formula
- C12H5F6NO
- Average molar mass
- 293.16 g/mol
- Monoisotopic mass
- 293.02753276
Names & identifiers
- Preferred name
- Benzonitrile, p-(4,4,4-trifluoro-3-trifluoromethylcrotonoyl)-
- IUPAC
- 4-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoyl]benzonitrile
Names & synonyms
35444-04-3NSC 162091p-(4,4,4-Trifluoro-3-trifluoromethylcrotonoyl)benzonitrileBRN 3063614DTXSID701889404-((3,3,3-Trifluoro-2-trifluoromethyl)propenylcarbonyl)benzonitrileBENZONITRILE, p-(4,4,4-TRIFLUORO-3-TRIFLUOROMETHYLCROTONOYL)-RefChem:328101DTXCID301114314-[4,4,4-trifluoro-3-(trifluoromethyl)but-2-enoyl]benzonitrileNSC162091NSC-162091
Show more names
Benzonitrile,4,4-trifluoro-1-oxo-3-(trifluoromethyl)-2-butenyl]-Benzonitrile, 4-[4,4,4-trifluoro-1-oxo-3-(trifluoromethyl)-2-buten-1-yl]-
Database identifiers
- CAS
35444-04-3- PubChem CID
- 37142
- DTXSID
DTXSID70188940- Nikkaji
- J87.876F
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 40.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 429
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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