Basic information
- Standard SMILES
CCCCC12COC(c3ccc(C#CCOC)cc3)(OC1)OC2C(F)(F)F- InChIKey
HMRRDNSKFZUYSV-UHFFFAOYSA-N- Molecular formula
- C20H23F3O4
- Average molar mass
- 384.4 g/mol
Names & identifiers
- Preferred name
- 4-n-Butyl-1-[4-(3-methoxyprop-1-ynyl)phenyl]-3-trifluoromethyl-2,6,7-trioxabicyclo[2,2,2]octane
- IUPAC
- 4-butyl-1-[4-(3-methoxyprop-1-ynyl)phenyl]-3-(trifluoromethyl)-2,6,7-trioxabicyclo[2.2.2]octane
Names & synonyms
4-n-Butyl-1-[4-(3-methoxyprop-1-ynyl)phenyl]-3-trifluoromethyl-2,6,7-trioxabicyclo[2,2,2]octaneSCHEMBL93999954-n-Butyl-1-[4-(3-methoxyprop-1ynyl)phenyl]-3-trifluoromethyl-2,6,7-trioxabicyclo[2,2,2]octane
Database identifiers
- PubChem CID
- 15021990
Properties
Computed structural properties
- XLogP
- 4.2
- Topological polar surface area
- 36.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 561
Related reactions
5 records
Compound notes
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