Basic information
- Standard SMILES
CCOC(=O)C(F)(F)c1ccc(Oc2ccc(C#N)cc2)cn1- InChIKey
UXDHIZHWOFKXJC-UHFFFAOYSA-N- Molecular formula
- C16H12F2N2O3
- Average molar mass
- 318.27 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-(5-(4-cyanophenoxy)pyridin-2-yl)-2,2-difluoroacetate
- IUPAC
- ethyl 2-[5-(4-cyanophenoxy)-2-pyridinyl]-2,2-difluoroacetate
Names & synonyms
ethyl 2-(5-(4-cyanophenoxy)pyridin-2-yl)-2,2-difluoroacetateSCHEMBL15584628SCHEMBL29700365
Database identifiers
- PubChem CID
- 90052223
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 72.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 455
Related reactions
2 records
Compound notes
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