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The molecular formula is C19H24FNO2.
The molecular weight is 317.4 g/mol.
The IUPAC name is (4-cyano-3-fluorophenyl) 4-pentylcyclohexane-1-carboxylate.
The InChI is InChI=1S/C19H24FNO2/c1-2-3-4-5-14-6-8-15(9-7-14)19(22)23-17-11-10-16(13-21)18(20)12-17/h10-12,14-15H,2-9H2,1H3.
The InChIKey is UXWUXPHWGMBQBU-UHFFFAOYSA-N.
The Canonical SMILES is CCCCCC1CCC(CC1)C(=O)OC2=CC(=C(C=C2)C#N)F.
The XLogP3-AA value is 6.
There are 4 hydrogen bond acceptors in the molecule.
The topological polar surface area is 50.1 Å2.
Yes, the compound is canonicalized.
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