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Molecule
3,3,4,4-Tetrafluorodihydro-2,5-Furandione
CAS: 699-30-9 · C4F4O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 699-30-9
- Molecular Formula
- C4F4O3
- Molecular Mass
- 172.03 g/mol
Identifiers
CAS Registry Number
699-30-9
SMILES
O=C1OC(=O)C(F)(F)C1(F)F
InChI Key
ZLVLNNCBGQYRAB-UHFFFAOYSA-N
InChI
InChI=1S/C4F4O3/c5-3(6)1(9)11-2(10)4(3,7)8
Names and Synonyms
- 3,3,4,4-Tetrafluorodihydro-2,5-Furandione Systematic Name
- 2,5-Furandione, 3,3,4,4-tetrafluorodihydro- Synonym
- Succinic anhydride, tetrafluoro- Synonym
- 3,3,4,4-Tetrafluorodihydro-2,5-furandione Synonym
- Tetrafluorosuccinic anhydride Synonym
- Perfluorosuccinic anhydride Synonym
- Perfluorosuccinic acid anhydride Synonym
- C 4ANHD Synonym
- Tetrafluorofuran-2,5-dione Synonym
- 3,3,4,4-Tetrafluorodihydrofuran-2,5-dione Synonym
- 3,3,4,4-Tetrafluorodihydrofuran-2,5-dion Synonym
- 3,3,4,4-Tetrafluorooxolane-2,5-dione Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 172.03 g/mol | CAS Common Chemistry |
| 172.033 g/mol | RDKit | |
| Density | 1.62 g/cm³ | CAS Common Chemistry |
| 1.6209 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 54.5 °C | CAS Common Chemistry |
| Canonical SMILES | O=C1OC(=O)C(F)(F)C1(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C4F4O3/c5-3(6)1(9)11-2(10)4(3,7)8 | CAS Common Chemistry |
| InChI Key | InChIKey=ZLVLNNCBGQYRAB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 3,3,4,4-Tetrafluorodihydro-2,5-furandione | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 43.370000000000005 Ų | RDKit |
| 43.37 Ų | RDKit | |
| LogP | 0.3403999999999998 | RDKit |
| 0.3404 | RDKit | |
| Molar Refractivity | 20.993000000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 171.97835673999998 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
160
140
120
100
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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.
External Resources
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MW = 172.03 g/mol; density = 1.620 g/mL. Edit any field — others recompute live.
