2-(4-Fluorocyclohexyl)-5-pentyl-1,3-dioxane
Basic information
- CAS
114818-11-0- Standard SMILES
CCCCCC1COC(C2CCC(F)CC2)OC1- InChIKey
QLFJMWRIZLXOBZ-UHFFFAOYSA-N- Molecular formula
- C15H27FO2
- Average molar mass
- 258.37 g/mol
- Monoisotopic mass
- 258.19950826
Names & identifiers
- Preferred name
- 2-(4-Fluorocyclohexyl)-5-pentyl-1,3-dioxane
- IUPAC
- 2-(4-fluorocyclohexyl)-5-pentyl-1,3-dioxane
- English name
- 2-(4-Fluorocyclohexyl)-5-pentyl-1,3-dioxane
- Molecular formula
- C15H27FO2
- Molecular weight
- 258.37
Names & synonyms
2-(4-fluorocyclohexyl)-5-pentyl-1,3-dioxane114818-11-0SCHEMBL10818391SCHEMBL10818394SCHEMBL10818395SCHEMBL11018918DTXSID901508661,3-Dioxane, 2-(4-fluorocyclohexyl)-5-pentyl-
Database identifiers
- CAS
114818-11-0- PubChem CID
- 189247
- DTXSID
DTXSID90150866
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 18.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 219
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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