3,3'-Bis(1-hydroxy-1-trifluoromethyl-2,2,2-trifluoroethyl)-4,4'-oxydianiline

HCID 86623391

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

Related reactions

10 records

Compound notes

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