Basic information
- Standard SMILES
O=C(C=Cc1ccc(C(F)(F)F)cc1C(F)(F)F)c1cc(OCC(F)(F)F)ccc1OCC(F)(F)F- InChIKey
PRLJXRQFHCLIAL-UHFFFAOYSA-N- Molecular formula
- C21H12F12O3
- Average molar mass
- 540.3 g/mol
- Monoisotopic mass
- 540.0594822
Names & identifiers
- Preferred name
- 1-[2,5-Bis(2,2,2-trifluoroethoxy)phenyl]-3-[2,4-bis-(trifluoromethyl)phenyl]prop-2-en-1-one
- IUPAC
- 1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-[2,4-bis(trifluoromethyl)phenyl]prop-2-en-1-one
Names & synonyms
1-[2,5-bis(2,2,2-trifluoroethoxy)phenyl]-3-[2,4-bis-(trifluoromethyl)phenyl]prop-2-en-1-oneSCHEMBL5476407
Database identifiers
- PubChem CID
- 85337750
Properties
Computed structural properties
- XLogP
- 7.6
- Topological polar surface area
- 35.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 15
- Rotatable bonds
- 7
- Heavy atoms
- 36
- Formal charge
- 0
- Complexity
- 753
Related reactions
1 records
Compound notes
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