Basic information
- Standard SMILES
N#CNc1cccc(C(F)(F)F)c1- InChIKey
PXRLLKXIZPXPTK-UHFFFAOYSA-N- Molecular formula
- C8H5F3N2
- Average molar mass
- 186.13 g/mol
Names & identifiers
- Preferred name
- 3-(Trifluoromethyl)phenylcyanamide
- IUPAC
- [3-(trifluoromethyl)phenyl]cyanamide
Names & synonyms
3-(trifluoromethyl)phenylcyanamideN-(3-(trifluoromethyl)phenyl)cyanamide3-cyanamidobenzotrifluoride71173-38-1SCHEMBL7166763N-cyano-3-trifluoromethylanilineAKOS005305719
Database identifiers
- PubChem CID
- 11074102
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 35.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 1
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 215
Related reactions
16 records
Compound notes
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