tert-Butyl 3-[(4-cyano-3-fluoro-phenoxymethyl)phenyl]propionate

HCID 22010289
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Basic information

Standard SMILES
CC(C)(C)OC(=O)CCc1ccccc1COc1ccc(C#N)c(F)c1
InChIKey
MHXWAIUXJDRFEY-UHFFFAOYSA-N
Molecular formula
C21H22FNO3
Average molar mass
355.4 g/mol

Names & identifiers

Preferred name
tert-Butyl 3-[(4-cyano-3-fluoro-phenoxymethyl)phenyl]propionate
IUPAC
tert-butyl 3-[2-[(4-cyano-3-fluorophenoxy)methyl]phenyl]propanoate

Names & synonyms

MHXWAIUXJDRFEY-UHFFFAOYSA-Ntert-Butyl 3-[(4-cyano-3-fluoro-phenoxymethyl)phenyl]propionate

Database identifiers

PubChem CID
22010289

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
59.3 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
5
Rotatable bonds
8
Heavy atoms
26

Related reactions

1 records
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Compound notes

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