Basic information
- Standard SMILES
CCCCCCCCOc1ccc(-c2cnc(CCCCCCCC)c(F)n2)cc1- InChIKey
HSURVRDZJZQICY-UHFFFAOYSA-N- Molecular formula
- C26H39FN2O
- Average molar mass
- 414.6 g/mol
- Monoisotopic mass
- 414.30464203
Names & identifiers
- Preferred name
- 2-Fluoro-3-octyl-6-(4-octyloxyphenyl)pyrazine
- IUPAC
- 3-fluoro-5-(4-octoxyphenyl)-2-octylpyrazine
Names & synonyms
SCHEMBL8808636HSURVRDZJZQICY-UHFFFAOYSA-N2-fluoro-3-octyl-6-(4-octyloxyphenyl)pyrazine
Database identifiers
- PubChem CID
- 19418296
Properties
Computed structural properties
- XLogP
- 9.2
- Topological polar surface area
- 35 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 16
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 400
Related reactions
2 records
Compound notes
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