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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
Loading 3D structure...
Basic Information
CAS Registry Number:
16090-14-5
Molecular Formula:
C7F14O4S
Molecular Mass:
446.11 g/mol
Names and Synonyms:
2-[1-[Difluoro[(1,2,2-Trifluoroethenyl)Oxy]Methyl]-1,2,2,2-Tetrafluoroethoxy]-1,1,2,2-Tetrafluoroethanesulfonyl Fluoride
Ethanesulfonyl fluoride, 2-[1-[difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-
Ethanesulfonyl fluoride, 1,1,2,2-tetrafluoro-2-[1,2,2-trifluoro-1-(trifluoromethyl)-2-[(trifluorovinyl)oxy]ethoxy]-
Ethanesulfonyl fluoride, 2-[1-[difluoro[(trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoro-
2-[1-[Difluoro[(1,2,2-trifluoroethenyl)oxy]methyl]-1,2,2,2-tetrafluoroethoxy]-1,1,2,2-tetrafluoroethanesulfonyl fluoride
Perfluoro-3,6-dioxa-4-methyl-Δ7-octylsulfonyl fluoride
Perfluoro(4-methyl-3,6-dioxaoct-7-ene)sulfonyl fluoride
FS 141
Perfluoro-3,6-dioxa-4-methyl-7-octene sulfonyl fluoride
1,1,2,2-Tetrafluoro-2-[1,1,1,2,3,3-hexafluoro-3-(1,2,2-trifluoroethenoxy)propan-2-yl]oxyethanesulfonyl fluoride
Identifiers:
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:
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
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
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.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 446.11 g/mol | CAS Common Chemistry |
| 446.11199999999997 g/mol | RDKit | |
| 445.92937456 g/mol | RDKit | |
| 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 |
| LogP | 4.3605 | RDKit |
| Molar Refractivity | 47.28279999999999 | RDKit |
