Basic information
- Standard SMILES
Nc1ccc(Oc2ccc(N)cc2C(O)(C(F)(F)F)C(F)(F)F)c(C(O)(C(F)(F)F)C(F)(F)F)c1- InChIKey
USTDXDBVFJMMMY-UHFFFAOYSA-N- Molecular formula
- C18H12F12N2O3
- Average molar mass
- 532.3 g/mol
Names & identifiers
- Preferred name
- 3,3'-Bis(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-4,4'-oxydianiline
- IUPAC
- 2-[5-amino-2-[4-amino-2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenoxy]phenyl]-1,1,1,3,3,3-hexafluoropropan-2-ol
Names & synonyms
3,3'-bis(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-4,4'-oxydianilineSCHEMBL27837213, 3'-bis(1 -hydroxy- 1 -trifluoromethyl- 2,2,2-trifluoroethyl) -4,4' -oxydianiline
Database identifiers
- PubChem CID
- 86623391
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 4
- Hydrogen bond acceptors
- 17
- Rotatable bonds
- 4
- Heavy atoms
- 35
- Formal charge
- 0
- Complexity
- 648
Related reactions
10 records
Compound notes
Loading…