Basic information
- CAS
35444-09-8- Standard SMILES
O=C(C=C(C(F)(F)F)C(F)(F)F)c1ccco1- InChIKey
DTQHSVUPGPFERQ-UHFFFAOYSA-N- Molecular formula
- C9H4F6O2
- Average molar mass
- 258.12 g/mol
- Monoisotopic mass
- 258.01154834
Names & identifiers
- Preferred name
- 2-Buten-1-one, 1-(2-furyl)-4,4,4-trifluoro-3-trifluoromethyl-
- IUPAC
- 4,4,4-trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)but-2-en-1-one
Names & synonyms
35444-09-82-BUTEN-1-ONE, 1-(2-FURYL)-4,4,4-TRIFLUORO-3-TRIFLUOROMETHYL-NSC 162096BRN 53446321-(2-Furyl)-4,4,4-trifluoro-3-trifluoromethyl-2-buten-1-oneDTXSID50188943RefChem:257864DTXCID10111434NSC-1620964,4,4-trifluoro-1-(furan-2-yl)-3-(trifluoromethyl)but-2-en-1-oneNSC1620968KN358J5WF
Show more names
4,4,4-Trifluoro-1-(2-furanyl)-3-(trifluoromethyl)-2-buten-1-one4,4,4-Trifluoro-1-(2-furyl)-3-(trifluoromethyl)-2-buten-1-one2-Buten-1-one, 4,4,4-trifluoro-1-(2-furanyl)-3-(trifluoromethyl)-
Database identifiers
- CAS
35444-09-8- PubChem CID
- 37145
- DTXSID
DTXSID50188943- UNII
- 8KN358J5WF
- Nikkaji
- J65.762J
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 30.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 2
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 311
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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