Basic information
- Standard SMILES
CCCCCC1COC(c2ccc(C#N)cc2F)OC1- InChIKey
VRHDXQJWRKACOJ-UHFFFAOYSA-N- Molecular formula
- C16H20FNO2
- Average molar mass
- 277.33 g/mol
- Monoisotopic mass
- 277.14780704
Names & identifiers
- Preferred name
- 3-Fluoro-4-(5-pentyl-1,3-dioxan-2-yl)-benzonitrile
- IUPAC
- 3-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)benzonitrile
Names & synonyms
SCHEMBL10501754VRHDXQJWRKACOJ-UHFFFAOYSA-N3-fluoro-4-(5-pentyl-1,3-dioxan-2-yl)-benzonitrile
Database identifiers
- PubChem CID
- 20162157
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 333
Related reactions
2 records
Compound notes
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