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Molecule
4,4′-(Hexafluoroisopropylidene)Diphthalic Anhydride
CAS: 1107-00-2 · C19H6F6O6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 1107-00-2
- Molecular Formula
- C19H6F6O6
- Molecular Mass
- 444.24 g/mol
Identifiers
CAS Registry Number
1107-00-2
SMILES
O=C1OC(=O)c2cc(C(c3ccc4c(c3)C(=O)OC4=O)(C(F)(F)F)C(F)(F)F)ccc21
InChI Key
QHHKLPCQTTWFSS-UHFFFAOYSA-N
InChI
InChI=1S/C19H6F6O6/c20-18(21,22)17(19(23,24)25,7-1-3-9-11(5-7)15(28)30-13(9)26)8-2-4-10-12(6-8)16(29)31-14(10)27/h1-6H
Names and Synonyms
- 4,4′-(Hexafluoroisopropylidene)Diphthalic Anhydride Systematic Name
- 1,3-Isobenzofurandione, 5,5′-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]bis- Synonym
- Phthalic anhydride, 4,4′-[trifluoro-1-(trifluoromethyl)ethylidene]di- Synonym
- Phthalic anhydride, 4,4′-[2,2,2-trifluoro-1-(trifluoromethyl)ethylidene]di- Synonym
- 5,5′-[2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]bis[1,3-isobenzofurandione] Synonym
- 2,2-Bis(3,4-dicarboxyphenyl)hexafluoropropane dianhydride Synonym
- [2,2,2-Trifluoro-1-(trifluoromethyl)ethylidene]diphthalic anhydride Synonym
- Hexafluoroisopropylidene-2,2-bis(phthalic anhydride) Synonym
- 6FDA Synonym
- 4,4′-(Hexafluoroisopropylidene)bis(phthalic anhydride) Synonym
- 4,4′-(Hexafluoroisopropylidene)diphthalic anhydride Synonym
- Hexafluoroisopropylbis(phthalic dianhydride) Synonym
- 4,4′-Hexafluoroisopropylidenebisphthalic dianhydride Synonym
- 2,2-Bis(3,4-dicarboxyphenyl)-1,1,1,3,3,3-hexafluoropropane dianhydride Synonym
- 4,4′-Hexafluoroisopropylidenebis(benzene-1,2-dicarboxylic acid dianhydride) Synonym
- 4,4′-(Hexafluoroisopropylidene)diphthalic dianhydride Synonym
- 4,4′-Hexafluoropropylidene bisphthalic acid dianhydride Synonym
- 6FPA Synonym
- 4,4′-(2,2-Hexafluoroisopropylidene)diphthalic acid dianhydride Synonym
- 4,4′-(Hexafluoroisopropylidene) biphthalic anhydride Synonym
- H 1438 Synonym
- 2,2′-Bis(3,4′-dicarboxyphenyl)hexafluoropropane dianhydride Synonym
- 4,4′-(Hexafluoroisopropylidene)diphthalic acid anhydride Synonym
- 5,5′-(Perfluoropropane-2,2-diyl)bis(isobenzofuran-1,3-dione) Synonym
- 4,4′-(2,2-Hexafluoroisopropylidene)diphthalic dianhydride Synonym
- 4,4-(Hexafluoroisopropylidene)diphthalic anhydride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 444.24 g/mol | CAS Common Chemistry |
| 444.239 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/4,4%E2%80%B2-(Hexafluoroisopropylidene)diphthalic_anhydride | CAS Common Chemistry |
| Canonical SMILES | O=C1OC(=O)C2=CC(=CC=C12)C(C3=CC=C4C(=O)OC(=O)C4=C3)(C(F)(F)F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C19H6F6O6/c20-18(21,22)17(19(23,24)25,7-1-3-9-11(5-7)15(28)30-13(9)26)8-2-4-10-12(6-8)16(29)31-14(10)27/h1-6H | CAS Common Chemistry |
| InChI Key | InChIKey=QHHKLPCQTTWFSS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 250-254 °C | CAS Common Chemistry |
| Name | 4,4′-(Hexafluoroisopropylidene)diphthalic anhydride | CAS Common Chemistry |
| Heavy Atom Count | 31 | RDKit |
| Hydrogen Bond Acceptors | 6 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 2 | RDKit |
| Topological Polar Surface Area | 86.74000000000001 Ų | RDKit |
| 86.74 Ų | RDKit | |
| LogP | 3.7185000000000015 | RDKit |
| 3.7185 | RDKit | |
| Molar Refractivity | 85.266 cm³/mol | RDKit |
| Ring Count | 4 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.1579 | RDKit |
| 0.16 | chempirical lib | |
| Exact Mass | 444.00685723199996 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 = 444.24 g/mol. Edit any field — others recompute live.
