Basic information
- Standard SMILES
CCCC1COC(c2cc(F)c(-c3cc(F)c(C(F)(F)F)c(F)c3)c(F)c2)OC1- InChIKey
CSQGVSISGBBRKQ-UHFFFAOYSA-N- Molecular formula
- C20H17F7O2
- Average molar mass
- 422.3 g/mol
Names & identifiers
- Preferred name
- 5-Propyl-2-(4-(3,5-difluoro-4-trifluoromethylphenyl)-3,5-difluorophenyl)-1,3-dioxane
- IUPAC
- 2-[4-[3,5-difluoro-4-(trifluoromethyl)phenyl]-3,5-difluorophenyl]-5-propyl-1,3-dioxane
Names & synonyms
5-propyl-2-(4-(3,5-difluoro-4-trifluoromethylphenyl)-3,5-difluorophenyl)-1,3-dioxaneSCHEMBL8452479
Database identifiers
- PubChem CID
- 53738121
Properties
Computed structural properties
- XLogP
- 5.9
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 499
Related reactions
1 records
Compound notes
Loading…