Back to Search
2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-Hexafluoro-2-(1,1,2,2,3,3,3-Heptafluoropropoxy)Propoxy]Propanoyl Fluoride
CAS: 2641-34-1 | C9F18O3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2641-34-1
Molecular Formula:
C9F18O3
Molecular Mass:
498.06 g/mol
Names and Synonyms:
2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-Hexafluoro-2-(1,1,2,2,3,3,3-Heptafluoropropoxy)Propoxy]Propanoyl Fluoride
Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-
Propionyl fluoride, tetrafluoro-2-[hexafluoro-2-(heptafluoropropoxy)propoxy]-
Propanoyl fluoride, 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-
Propionyl fluoride, 2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(heptafluoropropoxy)propoxy]-
2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoyl fluoride
Hexafluoropropene oxide trimer
2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(perfluoropropoxy)propoxy]propanoyl fluoride
Perfluoro-2,5-dimethyl-3,6-dioxanonanoyl fluoride
Perfluoro-2,5-dimethyl-3,6-dioxanonanoic acid fluoride
Perfluoro-2,5-dimethyl-3,6-dioxa-nonanoic acid fluoride
Cheminox PO 3AF
Identifiers:
SMILES:
O=C(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F
InChI:
InChI=1S/C9F18O3/c10-1(28)2(11,5(15,16)17)29-9(26,27)4(14,7(21,22)23)30-8(24,25)3(12,13)6(18,19)20
Key Properties
Boiling Point
114-116 °C @ Press: 760 Torr
CAS Common Chemistry
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 | 498.06 g/mol | CAS Common Chemistry |
| 498.05999999999995 g/mol | RDKit | |
| 497.95600182 g/mol | RDKit | |
| Boiling Point | 114-116 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | O=C(F)C(F)(OC(F)(F)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C9F18O3/c10-1(28)2(11,5(15,16)17)29-9(26,27)4(14,7(21,22)23)30-8(24,25)3(12,13)6(18,19)20 | CAS Common Chemistry |
| InChI Key | InChIKey=YSIGVPOSKQLNTO-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 2,3,3,3-Tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoyl fluoride | CAS Common Chemistry |
| Heavy Atom Count | 30 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 7 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 35.53 Ų | RDKit |
| LogP | 5.355100000000001 | RDKit |
| Molar Refractivity | 48.96899999999999 | RDKit |
