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Basic information
- Standard SMILES
CCCC1CCC(C2COC(c3cc(F)c(C#N)c(F)c3)OC2)CC1- InChIKey
MBCWQTLLWWYJMH-UHFFFAOYSA-N- Molecular formula
- C20H25F2NO2
- Average molar mass
- 349.4 g/mol
- Monoisotopic mass
- 349.18533536
Names & identifiers
- Preferred name
- trans-2-(4'-Cyano-3',5'-difluorophenyl)-5-(trans-4'-propylcyclohexyl)-1,3-dioxane
- IUPAC
- 2,6-difluoro-4-[5-(4-propylcyclohexyl)-1,3-dioxan-2-yl]benzonitrile
Names & synonyms
SCHEMBL9406771SCHEMBL9406775MBCWQTLLWWYJMH-QWRRWUQTSA-Ntrans-2-(4'-cyano-3',5'-difluorophenyl)-5-(trans-4'-propylcyclohexyl)-1,3-dioxane
Database identifiers
- PubChem CID
- 18655378
Properties
Computed structural propertiesFilling in
- XLogP
- 5.6
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 452
Related reactions
1 records
Compound notes
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