(2,3,5,6-Tetrafluoro-4-prop-2-ynylphenyl)methyl 3-(2-cyanoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate

HCID 57772170
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Basic information

Standard SMILES
C#CCc1c(F)c(F)c(COC(=O)C2C(C=C(C)C#N)C2(C)C)c(F)c1F
InChIKey
URBMGOAIYBHQMO-UHFFFAOYSA-N
Molecular formula
C20H17F4NO2
Average molar mass
379.3 g/mol
Monoisotopic mass
379.11954143

Names & identifiers

Preferred name
(2,3,5,6-Tetrafluoro-4-prop-2-ynylphenyl)methyl 3-(2-cyanoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
IUPAC
(2,3,5,6-tetrafluoro-4-prop-2-ynylphenyl)methyl 3-(2-cyanoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate

Names & synonyms

SCHEMBL358494

Database identifiers

PubChem CID
57772170

Properties

Computed structural properties

XLogP
4.1
Topological polar surface area
50.1 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
7
Rotatable bonds
6
Heavy atoms
27

Related reactions

1 records
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Compound notes

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