Basic information
- Standard SMILES
Fc1ccc(OC[C@H]2CCC[C@H](OC(CBr)c3ccc(Cl)cc3Cl)O2)cc1- InChIKey
JTAWPWOGRDEJPB-VBHUFULTSA-N- Molecular formula
- C20H20BrCl2FO3
- Average molar mass
- 478.2 g/mol
Names & identifiers
- Preferred name
- trans-6-(4-Fluorophenoxymethyl)-2-[2-bromo-1-(2,4-dichlorophenyl)ethoxy]tetrahydropyran
- IUPAC
- (2S,6R)-2-[2-bromo-1-(2,4-dichlorophenyl)ethoxy]-6-[(4-fluorophenoxy)methyl]oxane
Names & synonyms
SCHEMBL10969754JTAWPWOGRDEJPB-VBHUFULTSA-Ntrans-6-(4-fluorophenoxymethyl)-2-[2-bromo-1-(2,4-dichlorophenyl)ethoxy]tetrahydropyran
Database identifiers
- PubChem CID
- 53973166
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 27.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 7
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 439
Related reactions
1 records
Compound notes
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