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Molecule
Bisphenol Af
CAS: 1478-61-1 · C15H10F6O2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1478-61-1
- Molecular Formula
- C15H10F6O2
- Molecular Mass
- 336.23 g/mol
Identifiers
CAS Registry Number
1478-61-1
SMILES
Oc1ccc(C(c2ccc(O)cc2)(C(F)(F)F)C(F)(F)F)cc1
InChI Key
ZFVMWEVVKGLCIJ-UHFFFAOYSA-N
InChI
InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H
Names and Synonyms
- Bisphenol Af Synonym
- Phenol, 4,4′-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis- Synonym
- Phenol, 4,4′-[trifluoro-1-(trifluoromethyl)ethylidene]di- Synonym
- Phenol, 4,4′-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]di- Synonym
- 4,4′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[phenol] Synonym
- 2,2-Bis(4-hydroxyphenyl)perfluoropropane Synonym
- Bisphenol AF Synonym
- Biphenol AF Synonym
- Hexafluoroisopropylidenebis(4-hydroxybenzene) Synonym
- 4,4′-(Hexafluoroisopropylidene)diphenol Synonym
- 2,2-Bis(4-hydroxyphenyl)hexafluoropropane Synonym
- Hexafluorodiphenylolpropane Synonym
- 1,1,1,3,3,3-Hexafluoro-2,2-bis(4-hydroxyphenyl)propane Synonym
- 2,2-Bis(4-hydroxyphenyl)-1,1,1,3,3,3-hexafluoropropane Synonym
- BIS-AF Synonym
- Curative 30 Synonym
- 2,2-Bis(p-hydroxyphenyl)hexafluoropropane Synonym
- Hexafluorobisphenol A Synonym
- NSC 152522 Synonym
- 2,2-Bis(4′-hydroxyphenyl)hexafluoropropane Synonym
- Bisphenol AE Synonym
- Cheminox BAF Synonym
- GP 21 Synonym
- 2,2-(4-Hydroxyphenyl)hexafluoropropane Synonym
- 4,4′-(Hexafluoroisopropylidene)bisphenol Synonym
- BIS-AF(H) Synonym
- AF 50 Synonym
- 4,4′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]diphenol Synonym
- Dynamar RC 5105 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 336.23 g/mol | CAS Common Chemistry |
| 336.23099999999994 g/mol | RDKit | |
| 336.231 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Bisphenol_AF | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(C1=CC=C(O)C=C1)(C2=CC=C(O)C=C2)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C15H10F6O2/c16-14(17,18)13(15(19,20)21,9-1-5-11(22)6-2-9)10-3-7-12(23)8-4-10/h1-8,22-23H | CAS Common Chemistry |
| InChI Key | InChIKey=ZFVMWEVVKGLCIJ-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 160-162 °C | CAS Common Chemistry |
| Name | Bisphenol AF | CAS Common Chemistry |
| Heavy Atom Count | 23 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 2 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 40.46 Ų | RDKit |
| LogP | 4.5085000000000015 | RDKit |
| 4.5085 | RDKit | |
| 4.62 | chempirical lib | |
| Molar Refractivity | 69.10360000000001 cm³/mol | RDKit |
| Ring Count | 2 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.2 | RDKit |
| Exact Mass | 336.05849888 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 336.23 g/mol. Edit any field — others recompute live.
