Basic information
- Standard SMILES
Cc1sc(C(=O)CC(O)(c2cc(Cl)cc(Cl)c2)C(F)(F)F)cc1Br- InChIKey
LKMBYGREMRLUCY-UHFFFAOYSA-N- Molecular formula
- C15H10BrCl2F3O2S
- Average molar mass
- 462.1 g/mol
Names & identifiers
- Preferred name
- (4-Bromo-5-methyl-thiophen-2-yl)-3-(3,5-dichloro-phenyl)-4,4,4-trifluoro-3-hydroxy-butan-1-one
- IUPAC
- 1-(4-bromo-5-methylthiophen-2-yl)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutan-1-one
Names & synonyms
(4-bromo-5-methyl-thiophen-2-yl)-3-(3,5-dichloro-phenyl)-4,4,4-trifluoro-3-hydroxy-butan-1-oneSCHEMBL124955681-(4-bromo-5-methyl-thiophen-2-yl)-3-(3,5-dichloro-phenyl)-4,4,4-trifluoro-3-hydroxy-butan-1-one1-(4-bromo-5-methylthiophen-2-yl)-3-(3,5-dichlorophenyl)-4,4,4-trifluoro-3-hydroxybutan-1-one
Database identifiers
- PubChem CID
- 86706646
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 65.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 472
Related reactions
2 records
Compound notes
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