Basic information
- Standard SMILES
CC(C#N)=CC1C(C(=O)OCc2c(F)c(F)c(C)c(F)c2F)C1(C)C- InChIKey
PNTJAINOSYOQDB-UHFFFAOYSA-N- Molecular formula
- C18H17F4NO2
- Average molar mass
- 355.3 g/mol
- Monoisotopic mass
- 355.11954143
Names & identifiers
- Preferred name
- (2,3,5,6-Tetrafluoro-4-methylphenyl)methyl 3-(2-cyanoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
- IUPAC
- (2,3,5,6-tetrafluoro-4-methylphenyl)methyl 3-(2-cyanoprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
Names & synonyms
SCHEMBL358462
Database identifiers
- PubChem CID
- 58193085
Properties
Computed structural properties
- XLogP
- 3.9
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 595
Related reactions
1 records
Compound notes
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