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Molecule
Fluocinonide
CAS: 356-12-7 · C26H32F2O7
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 356-12-7
- Molecular Formula
- C26H32F2O7
- Molecular Mass
- 494.53 g/mol
Identifiers
CAS Registry Number
356-12-7
SMILES
CC(=O)OCC(=O)[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C
InChI Key
WJOHZNCJWYWUJD-IUGZLZTKSA-N
InChI
InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1
Names and Synonyms
- Fluocinonide Common Name
- Pregna-1,4-diene-3,20-dione, 21-(acetyloxy)-6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]-, (6α,11β,16α)- Synonym
- Pregna-1,4-diene-3,20-dione, 6α,9-difluoro-11β,16α,17,21-tetrahydroxy-, cyclic 16,17-acetal with acetone, 21-acetate Synonym
- 2H-Naphth[2′,1′:4,5]indeno[1,2-d][1,3]dioxole, pregna-1,4-diene-3,20-dione deriv. Synonym
- (6α,11β,16α)-21-(Acetyloxy)-6,9-difluoro-11-hydroxy-16,17-[(1-methylethylidene)bis(oxy)]pregna-1,4-diene-3,20-dione Synonym
- Fluocinolone acetonide acetate Synonym
- Fluocinolide Synonym
- Fluocinonide Synonym
- Fluocinolone acetonide 21-acetate Synonym
- Metosyn Synonym
- Lidex E Synonym
- Fluocinolide acetate Synonym
- Flucinar Synonym
- Topsym Synonym
- Lidex Synonym
- Topsymin Synonym
- NSC 101791 Synonym
- Topsyne Synonym
- Straderm Synonym
- Dermaplus Synonym
- Topsyn Synonym
- Biscosal Synonym
- Flucetonide Synonym
- Vanos Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 494.53 g/mol | CAS Common Chemistry |
| 494.53100000000023 g/mol | RDKit | |
| 494.531 g/mol | RDKit | |
| Canonical SMILES | O=C1C=CC2(C(=C1)C(F)CC3C4CC5OC(OC5(C(=O)COC(=O)C)C4(C)CC(O)C32F)(C)C)C | CAS Common Chemistry |
| InChI | InChI=1S/C26H32F2O7/c1-13(29)33-12-20(32)26-21(34-22(2,3)35-26)10-15-16-9-18(27)17-8-14(30)6-7-23(17,4)25(16,28)19(31)11-24(15,26)5/h6-8,15-16,18-19,21,31H,9-12H2,1-5H3/t15-,16-,18-,19-,21+,23-,24-,25-,26+/m0/s1 | CAS Common Chemistry |
| InChI Key | InChIKey=WJOHZNCJWYWUJD-IUGZLZTKSA-N | CAS Common Chemistry |
| Melting Point | 309 °C | CAS Common Chemistry |
| Name | Fluocinonide | CAS Common Chemistry |
| Heavy Atom Count | 35 | RDKit |
| Hydrogen Bond Acceptors | 7 | RDKit |
| Hydrogen Bond Donors | 1 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 99.13000000000001 Ų | RDKit |
| 99.13 Ų | RDKit | |
| LogP | 2.9376000000000015 | RDKit |
| 2.9376 | RDKit | |
| Molar Refractivity | 118.42480000000005 cm³/mol | RDKit |
| Ring Count | 5 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7308 | RDKit |
| 0.73 | chempirical lib | |
| Exact Mass | 494.211609804 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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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 = 494.53 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C26H32F2O7.
