Basic information
- Standard SMILES
O=C(C=Cc1ccc(O)c(Cl)c1Cl)c1cc(-c2ccc(C(F)(F)F)cc2)cs1- InChIKey
RTIGXXUQELNLEF-UHFFFAOYSA-N- Molecular formula
- C20H11Cl2F3O2S
- Average molar mass
- 443.3 g/mol
- Monoisotopic mass
- 441.9808906
Names & identifiers
- Preferred name
- 3-(2,3-Dichloro-4-hydroxyphenyl)-1-(4-(4-(trifluoromethyl)phenyl)thien-2-yl)prop-2-en-1-one
- IUPAC
- 3-(2,3-dichloro-4-hydroxyphenyl)-1-[4-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-en-1-one
Names & synonyms
3-(2,3-Dichloro-4-hydroxyphenyl)-1-(4-(4-(trifluoromethyl)phenyl)thien-2-yl)prop-2-en-1-oneSCHEMBL216812
Database identifiers
- PubChem CID
- 66623729
Properties
Computed structural properties
- XLogP
- 7.1
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 578
Related reactions
2 records
Compound notes
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