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Basic information
- Standard SMILES
Cc1cc(O)c(C)c(NCc2cc(-c3cccc(F)c3)ccc2F)c1F- InChIKey
AWXYWHJPWPJYBF-UHFFFAOYSA-N- Molecular formula
- C21H18F3NO
- Average molar mass
- 357.4 g/mol
- Monoisotopic mass
- 357.13404868
Names & identifiers
- Preferred name
- 4-Fluoro-3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]-2,5-dimethyl-phenol
- IUPAC
- 4-fluoro-3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]-2,5-dimethylphenol
Names & synonyms
SCHEMBL14786029AWXYWHJPWPJYBF-UHFFFAOYSA-N4-Fluoro-3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]-2,5-dim ethyl-phenol4-fluoro-3-[[2-fluoro-5-(3-fluorophenyl)phenyl]methylamino]-2,5-dimethyl-phenol
Database identifiers
- PubChem CID
- 89445129
Properties
Computed structural propertiesFilling in
- XLogP
- 5.7
- Topological polar surface area
- 32.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 451
Related reactions
2 records
Compound notes
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