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Molecule
2,2′-Bis(3-Amino-4-Hydroxyphenyl)Hexafluoropropane
CAS: 83558-87-6 · C15H12F6N2O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 83558-87-6
- Molecular Formula
- C15H12F6N2O2
- Molecular Mass
- 366.26 g/mol
Identifiers
CAS Registry Number
83558-87-6
SMILES
Nc1cc(C(c2ccc(O)c(N)c2)(C(F)(F)F)C(F)(F)F)ccc1O
InChI Key
MSTZGVRUOMBULC-UHFFFAOYSA-N
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
Names and Synonyms
- 2,2′-Bis(3-Amino-4-Hydroxyphenyl)Hexafluoropropane Synonym
- Phenol, 4,4′-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis[2-amino- Synonym
- 4,4′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[2-aminophenol] Synonym
- 2,2-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane Synonym
- Bis(aminophenol) AF Synonym
- 4,4′-(Hexafluoroisopropylidene)bis[2-aminophenol] Synonym
- 1,1-Bis(3-amino-4-hydroxyphenyl)-2,2,2-trifluoro-1-(trifluoromethyl)ethane Synonym
- Hexafluoro-2,2-bis(3-amino-4-hydroxyphenyl)propane Synonym
- Di(aminobisphenol) AF Synonym
- BAHF Synonym
- BAFA Synonym
- BIS-AP-AF Synonym
- 2,2′-Bis(3-amino-4-hydroxyphenyl)hexafluoropropane Synonym
- 2,2-Bis(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropane Synonym
- 4,4′-Dihydroxy-3,3′-diaminophenylhexafluoropropane Synonym
- 2-Amino-4-[2-(3-amino-4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]phenol Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 366.26 g/mol | CAS Common Chemistry |
| 366.26099999999997 g/mol | RDKit | |
| 366.261 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 |
| 3.6729 | RDKit | |
| 3.9 | chempirical lib | |
| Molar Refractivity | 77.9284 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 366.08029694399994 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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| Shift (ppm) | DEPT | Assignment |
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Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
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MW = 366.26 g/mol. Edit any field — others recompute live.
