Basic information
- CAS
136490-18-1- Standard SMILES
C#CCOc1cc(-c2ccc(C(F)(F)F)cc2)nc(-c2cccc(C(F)(F)F)c2)c1- InChIKey
NLSOORQOYPRKSS-UHFFFAOYSA-N- Molecular formula
- C22H13F6NO
- Average molar mass
- 421.3 g/mol
- Monoisotopic mass
- 421.09013301
Names & identifiers
- Preferred name
- 4-Prop-2-ynoxy-2-(3-(trifluoromethyl)phenyl)-6-(4-(trifluoromethyl)phenyl)pyridine
- IUPAC
- 4-prop-2-ynoxy-2-[3-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]pyridine
Names & synonyms
4-Prop-2-ynoxy-2-(3-(trifluoromethyl)phenyl)-6-(4-(trifluoromethyl)phenyl)pyridine136490-18-1DTXSID401598244-[(Prop-2-yn-1-yl)oxy]-2-[3-(trifluoromethyl)phenyl]-6-[4-(trifluoromethyl)phenyl]pyridine
Database identifiers
- CAS
136490-18-1- PubChem CID
- 178355
- DTXSID
DTXSID40159824
Properties
Computed structural properties
- XLogP
- 6
- Topological polar surface area
- 22.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 601
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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