Basic information
- Standard SMILES
N#Cc1cc(CCl)cc(OC(F)(F)F)c1- InChIKey
VJOPGYSYCMOIOU-UHFFFAOYSA-N- Molecular formula
- C9H5ClF3NO
- Average molar mass
- 235.59 g/mol
Names & identifiers
- Preferred name
- 3-(Chloromethyl)-5-(trifluoromethoxy)benzonitrile
- IUPAC
- 3-(chloromethyl)-5-(trifluoromethoxy)benzonitrile
Names & synonyms
3-(chloromethyl)-5-(trifluoromethoxy)benzonitrileSCHEMBL9326241215119-25-7DB-150875
Database identifiers
- PubChem CID
- 66847737
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 33 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 260
Related reactions
3 records
Compound notes
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