Basic information
- Standard SMILES
O=C(NCc1ccccc1)Nc1ccc(C(O)(C(F)(F)F)C(F)(F)F)cc1- InChIKey
SAQXRCLAQSXBQJ-UHFFFAOYSA-N- Molecular formula
- C17H14F6N2O2
- Average molar mass
- 392.29 g/mol
- Monoisotopic mass
- 392.09594667
Names & identifiers
- Preferred name
- N-benzyl-N'-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}urea
- IUPAC
- 1-benzyl-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]urea
Names & synonyms
N-benzyl-N'-{4-[2,2,2-trifluoro-1-hydroxy-1-(trifluoromethyl)ethyl]phenyl}ureaSCHEMBL4988195SR-03000001244SR-03000001244-1
Database identifiers
- PubChem CID
- 44968109
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 61.4 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 481
Related reactions
1 records
Compound notes
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