Basic information
- Standard SMILES
CC1(C)[C@H]2CC[C@H](COc3ccc(F)c(C#N)c3)[C@@H]1C2- InChIKey
IXQIIUVDPCEREE-ZLDLUXBVSA-N- Molecular formula
- C17H20FNO
- Average molar mass
- 273.34 g/mol
Names & identifiers
- Preferred name
- 2-Fluoro-5-((1s,2s,5s)-6,6-dimethylbicyclo[3.1.1]hept-2-ylmethoxy)benzonitrile
- IUPAC
- 5-[[(1S,2S,5S)-6,6-dimethyl-2-bicyclo[3.1.1]heptanyl]methoxy]-2-fluorobenzonitrile
Names & synonyms
SCHEMBL1155274IXQIIUVDPCEREE-ZLDLUXBVSA-N2-fluoro-5-((1s,2s,5s)-6,6-dimethylbicyclo[3.1.1]hept-2-ylmethoxy)benzonitrile
Database identifiers
- PubChem CID
- 66924372
Properties
Computed structural properties
- XLogP
- 4.7
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 412
Related reactions
2 records
Compound notes
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