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Molecule

4,4′-(Hexafluoroisopropylidene)Diphthalic Anhydride

CAS: 1107-00-2 · C19H6F6O6

2D Structure

3D Structure

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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 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment

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.

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