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2,2′-Bis(3-Amino-4-Hydroxyphenyl)Hexafluoropropane
CAS: 83558-87-6 | C15H12F6N2O2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
83558-87-6
Molecular Formula:
C15H12F6N2O2
Molecular Mass:
366.26 g/mol
Names and Synonyms:
2,2′-Bis(3-Amino-4-Hydroxyphenyl)Hexafluoropropane
Phenol, 4,4′-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[2-amino-
4,4′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[2-aminophenol]
2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane
Bis(aminophenol) AF
4,4′-(Hexafluoroisopropylidene)bis[2-aminophenol]
1,1-Bis(3-amino-4-hydroxyphenyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethane
Hexafluoro-2,2-bis(3-amino-4-hydroxyphenyl)propane
Di(aminobisphenol) AF
BAHF
BAFA
BIS-AP-AF
2,2′-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane
2,2-Bis(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropane
4,4′-Dihydroxy-3,3′-diaminophenylhexafluoropropane
2-Amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol
Identifiers:
SMILES:
Nc1cc(C(c2ccc(O)c(N)c2)(C(F)(F)F)C(F)(F)F)ccc1O
InChI:
InChI=1S/C15H12F6N2O2/c16-14(17,18)13(15(19,20)21,7-1-3-11(24)9(22)5-7)8-2-4-12(25)10(23)6-8/h1-6,24-25H,22-23H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 366.26 g/mol | CAS Common Chemistry |
| 366.26099999999997 g/mol | RDKit | |
| 366.08029694399994 g/mol | RDKit | |
| Canonical SMILES | FC(F)(F)C(C1=CC=C(O)C(N)=C1)(C2=CC=C(O)C(N)=C2)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C15H12F6N2O2/c16-14(17,18)13(15(19,20)21,7-1-3-11(24)9(22)5-7)8-2-4-12(25)10(23)6-8/h1-6,24-25H,22-23H2 | CAS Common Chemistry |
| InChI Key | InChIKey=MSTZGVRUOMBULC-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,2′-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane | CAS Common Chemistry |
| Heavy Atom Count | 25 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 4 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 92.5 Ų | RDKit |
| LogP | 3.6729000000000007 | RDKit |
| Molar Refractivity | 77.9284 | RDKit |
