Basic information
- Standard SMILES
FC(F)(F)c1ccc(C#Cc2ccc(OC3CCCCO3)cc2)cc1- InChIKey
BOQLPBZPYNKCSA-UHFFFAOYSA-N- Molecular formula
- C20H17F3O2
- Average molar mass
- 346.3 g/mol
Names & identifiers
- Preferred name
- 4-Tetrahydropyranyloxy-4'-trifluormethyltolan
- IUPAC
- 2-[4-[2-[4-(trifluoromethyl)phenyl]ethynyl]phenoxy]oxane
Names & synonyms
4-Tetrahydropyranyloxy-4'-trifluormethyltolanSCHEMBL674017
Database identifiers
- PubChem CID
- 58288558
Properties
Computed structural properties
- XLogP
- 5.7
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 474
Related reactions
8 records
Compound notes
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