Basic information
- Standard SMILES
OC(c1ccc(N(Cc2ccccc2)CC(F)(F)F)cc1)(C(F)(F)F)C(F)(F)F- InChIKey
MUUGHUBMRJKYSW-UHFFFAOYSA-N- Molecular formula
- C18H14F9NO
- Average molar mass
- 431.3 g/mol
- Monoisotopic mass
- 431.09316753
Names & identifiers
- Preferred name
- 2-(4-(Benzyl(2,2,2-trifluoroethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
- IUPAC
- 2-[4-[benzyl(2,2,2-trifluoroethyl)amino]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Names & synonyms
CHEMBL2147772-(4-(benzyl(2,2,2-trifluoroethyl)amino)phenyl)-1,1,1,3,3,3-hexafluoropropan-2-olSCHEMBL2080647BDBM501921332-{4-[benzyl-(2,2,2-trifluoro-ethyl)-amino]-phenyl}-1,1,1,3,3,3-hexafluoro-propan-2-ol
Database identifiers
- PubChem CID
- 11582802
- ChEMBL
CHEMBL214777
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 23.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 11
- Rotatable bonds
- 5
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 501
Related reactions
4 records
Compound notes
Loading…