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Tris(Trifluoropropyl)Trimethylcyclotrisiloxane
CAS: 2374-14-3 | C12H21F9O3Si3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2374-14-3
Molecular Formula:
C12H21F9O3Si3
Molecular Mass:
468.54 g/mol
Names and Synonyms:
Tris(Trifluoropropyl)Trimethylcyclotrisiloxane
Cyclotrisiloxane, 2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-
2,4,6-Trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)cyclotrisiloxane
1,3,5-Tris(3,3,3-trifluoropropyl)-1,3,5-trimethylcyclotrisiloxane
Tris-3,3,3-trifluoropropyltrimethylcyclotrisiloxane
1,3,5-Trimethyl-1,3,5-tris(3,3,3-trifluoropropyl)cyclotrisiloxane
(3,3,3-Trifluoropropyl)methylsiloxane cyclic trimer
LS 8220
D 3F
2,4,6-Trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane
Identifiers:
SMILES:
C[Si]1(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1
InChI:
InChI=1S/C12H21F9O3Si3/c1-25(7-4-10(13,14)15)22-26(2,8-5-11(16,17)18)24-27(3,23-25)9-6-12(19,20)21/h4-9H2,1-3H3
Key Properties
Boiling Point
95 °C @ Press: 3 Torr
CAS Common Chemistry
Melting Point
35.2 °C
CAS Common Chemistry
Density
1.24 g/cm³
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 | 468.54 g/mol | CAS Common Chemistry |
| 468.5370000000001 g/mol | RDKit | |
| 468.065478102 g/mol | RDKit | |
| Density | 1.24 g/cm³ | CAS Common Chemistry |
| 1.241 g/cm3 @ Temp: 26 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tris(trifluoropropyl)trimethylcyclotrisiloxane | CAS Common Chemistry |
| Boiling Point | 95 °C @ Press: 3 Torr | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)CC[Si]1(O[Si](O[Si](O1)(C)CCC(F)(F)F)(C)CCC(F)(F)F)C | CAS Common Chemistry |
| InChI | InChI=1S/C12H21F9O3Si3/c1-25(7-4-10(13,14)15)22-26(2,8-5-11(16,17)18)24-27(3,23-25)9-6-12(19,20)21/h4-9H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=URZHQOCYXDNFGN-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 35.2 °C | CAS Common Chemistry |
| Name | 2,4,6-Trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)cyclotrisiloxane | CAS Common Chemistry |
| Tris(trifluoropropyl)trimethylcyclotrisiloxane | CAS Common Chemistry | |
| Heavy Atom Count | 27 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 27.69 Ų | RDKit |
| LogP | 6.123000000000004 | RDKit |
| Molar Refractivity | 84.54600000000002 | RDKit |
