Basic information
- Standard SMILES
N#C/C=C/c1ccc(Oc2ccc(Cl)c(C(F)(F)F)c2)cc1- InChIKey
STHAIHMZTDHPOC-OWOJBTEDSA-N- Molecular formula
- C16H9ClF3NO
- Average molar mass
- 323.69 g/mol
- Monoisotopic mass
- 323.0324761
Names & identifiers
- Preferred name
- (2E)-3-(4-{[4-Chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)-2-propenenitrile
- IUPAC
- (E)-3-[4-[4-chloro-3-(trifluoromethyl)phenoxy]phenyl]prop-2-enenitrile
Names & synonyms
(2E)-3-(4-{[4-Chloro-3-(trifluoromethyl)phenyl]oxy}phenyl)-2-propenenitrileSCHEMBL9106595
Database identifiers
- PubChem CID
- 67775163
Properties
Computed structural properties
- XLogP
- 5.1
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 434
Related reactions
4 records
Compound notes
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