Basic information
- Standard SMILES
N#CC(Cc1ccccc1)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1- InChIKey
RGUPLJVLBBCXGR-UHFFFAOYSA-N- Molecular formula
- C18H14F6N2O
- Average molar mass
- 388.3 g/mol
- Monoisotopic mass
- 388.10103205
Names & identifiers
- Preferred name
- 3-Phenyl-2-({4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}-amino)propanenitrile
- IUPAC
- 2-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)anilino]-3-phenylpropanenitrile
Names & synonyms
3-Phenyl-2-({4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}-amino)propanenitrileSCHEMBL6216720
Database identifiers
- PubChem CID
- 22475641
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 56.1 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 5
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 510
Related reactions
3 records
Compound notes
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