Basic information
- Standard SMILES
C=CCOC1CCCCC1Oc1ccc(C#N)c(C(F)(F)F)c1- InChIKey
DSAJDSVHZPTPHL-UHFFFAOYSA-N- Molecular formula
- C17H18F3NO2
- Average molar mass
- 325.32 g/mol
Names & identifiers
- Preferred name
- 4-(2-Prop-2-enoxycyclohexyl)oxy-2-(trifluoromethyl)benzonitrile
- IUPAC
- 4-(2-prop-2-enoxycyclohexyl)oxy-2-(trifluoromethyl)benzonitrile
Names & synonyms
SCHEMBL3186089
Database identifiers
- PubChem CID
- 46181723
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 42.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 443
Related reactions
1 records
Compound notes
Loading…