Basic information
- Standard SMILES
CC(Oc1ccc(Oc2ccc(C(F)(F)F)cc2)cc1)C(=O)NC#N- InChIKey
AHKVYWFOEUTQDC-UHFFFAOYSA-N- Molecular formula
- C17H13F3N2O3
- Average molar mass
- 350.29 g/mol
- Monoisotopic mass
- 350.08782677
Names & identifiers
- Preferred name
- 2-[4-(4-trifluoromethylphenoxy)phenoxy]propionic acid N-cyanamide
- IUPAC
- N-cyano-2-[4-[4-(trifluoromethyl)phenoxy]phenoxy]propanamide
Names & synonyms
SCHEMBL10499285AHKVYWFOEUTQDC-UHFFFAOYSA-N2-[4-(4-trifluoromethylphenoxy)phenoxy]propionic acid N-cyanamide
Database identifiers
- PubChem CID
- 85523195
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 71.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 487
Related reactions
4 records
Compound notes
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