Basic information
- Standard SMILES
O=C(C=Cc1ccc(O)c(F)c1)c1ccc(-c2ccc(C(F)(F)F)cc2)s1- InChIKey
LBIUCLBUIGBXNG-UHFFFAOYSA-N- Molecular formula
- C20H12F4O2S
- Average molar mass
- 392.4 g/mol
- Monoisotopic mass
- 392.04941344
Names & identifiers
- Preferred name
- 3-(3-Fluoro-4-hydroxyphenyl)-1-(5-(4-(trifluoromethyl)phenyl)thien-2-yl)prop-2-en-1-one
- IUPAC
- 3-(3-fluoro-4-hydroxyphenyl)-1-[5-[4-(trifluoromethyl)phenyl]thiophen-2-yl]prop-2-en-1-one
Names & synonyms
3-(3-Fluoro-4-hydroxyphenyl)-1-(5-(4-(trifluoromethyl)phenyl)thien-2-yl)prop-2-en-1-oneSCHEMBL216621
Database identifiers
- PubChem CID
- 66623699
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 543
Related reactions
2 records
Compound notes
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