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Molecule
2-[1-[Difluoro[(1,2,2-Trifluoroethenyl)Oxy]Methyl]-1,2,2,2-Tetrafluoroethoxy]-1,1,2,2-Tetrafluoroethanesulfonyl Fluoride
CAS: 16090-14-5 · C7F14O4S
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 16090-14-5
- Molecular Formula
- C7F14O4S
- Molecular Mass
- 446.11 g/mol
Identifiers
CAS Registry Number
16090-14-5
SMILES
O=S(=O)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F
InChI Key
KTCQQCLZUOZFEI-UHFFFAOYSA-N
InChI
InChI=1S/C7F14O4S/c8-1(9)2(10)24-5(15,16)3(11,4(12,13)14)25-6(17,18)7(19,20)26(21,22)23
Names and Synonyms
- 2-[1-[Difluoro[(1,2,2-Trifluoroethenyl)Oxy]Methyl]-1,2,2,2-Tetrafluoroethoxy]-1,1,2,2-Tetrafluoroethanesulfonyl Fluoride Synonym
- Ethanesulfonyl fluoride, 2-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro- Synonym
- Ethanesulfonyl fluoride, 1,1,2,2-tetrafluoro-2-[1,2,2-trifluoro-1-(trifluoromethyl)-2-[(trifluorovinyl)oxy]ethoxy]- Synonym
- Ethanesulfonyl fluoride, 2-[1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro- Synonym
- 2-[1-[Difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride Synonym
- Perfluoro-3,6-dioxa-4-methyl-Δ7-octylsulfonyl fluoride Synonym
- Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride Synonym
- FS 141 Synonym
- Perfluoro-3,6-dioxa-4-methyl-7-octene sulfonyl fluoride Synonym
- 1,1,2,2-Tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonyl fluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 446.11 g/mol | CAS Common Chemistry |
| 446.11199999999997 g/mol | RDKit | |
| 446.112 g/mol | RDKit | |
| 446.105 g/mol | chempirical lib | |
| Canonical SMILES | O=S(=O)(F)C(F)(F)C(F)(F)OC(F)(C(F)(F)F)C(F)(F)OC(F)=C(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C7F14O4S/c8-1(9)2(10)24-5(15,16)3(11,4(12,13)14)25-6(17,18)7(19,20)26(21,22)23 | CAS Common Chemistry |
| InChI Key | InChIKey=KTCQQCLZUOZFEI-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2-[1-[Difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 52.60000000000001 Ų | RDKit |
| 52.6 Ų | RDKit | |
| LogP | 4.3605 | RDKit |
| Molar Refractivity | 47.28279999999999 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.7143 | RDKit |
| 0.71 | chempirical lib | |
| Exact Mass | 445.92937456 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 = 446.11 g/mol. Edit any field — others recompute live.
