Basic information
- Standard SMILES
COC(=O)CC(c1cccc(F)c1)C(C#N)c1ccc(F)c(F)c1- InChIKey
JZGDDJWRQDSDAL-UHFFFAOYSA-N- Molecular formula
- C18H14F3NO2
- Average molar mass
- 333.3 g/mol
- Monoisotopic mass
- 333.09766318
Names & identifiers
- Preferred name
- Methyl 4-cyano-4-(3,4-difluorophenyl)-3-(3-fluorophenyl)butanoate
- IUPAC
- methyl 4-cyano-4-(3,4-difluorophenyl)-3-(3-fluorophenyl)butanoate
Names & synonyms
SCHEMBL10699742JZGDDJWRQDSDAL-UHFFFAOYSA-Nmethyl 4-cyano-4-(3,4-difluorophenyl)-3-(3-fluorophenyl)butanoate
Database identifiers
- PubChem CID
- 14838784
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 50.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 478
Related reactions
1 records
Compound notes
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