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Molecule
Tris(Trifluoropropyl)Trimethylcyclotrisiloxane
CAS: 2374-14-3 · C12H21F9O3Si3
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 2374-14-3
- Molecular Formula
- C12H21F9O3Si3
- Molecular Mass
- 468.54 g/mol
Identifiers
CAS Registry Number
2374-14-3
SMILES
C[Si]1(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O[Si](C)(CCC(F)(F)F)O1
InChI Key
URZHQOCYXDNFGN-UHFFFAOYSA-N
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
Names and Synonyms
- Tris(Trifluoropropyl)Trimethylcyclotrisiloxane Common Name
- Cyclotrisiloxane, 2,4,6-trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)- Synonym
- 2,4,6-Trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)cyclotrisiloxane Synonym
- 1,3,5-Tris(3,3,3-trifluoropropyl)-1,3,5-trimethylcyclotrisiloxane Synonym
- Tris-3,3,3-trifluoropropyltrimethylcyclotrisiloxane Synonym
- 1,3,5-Trimethyl-1,3,5-tris(3,3,3-trifluoropropyl)cyclotrisiloxane Synonym
- (3,3,3-Trifluoropropyl)methylsiloxane cyclic trimer Synonym
- LS 8220 Synonym
- D 3F Synonym
- 2,4,6-Trimethyl-2,4,6-tris(3,3,3-trifluoropropyl)-1,3,5,2,4,6-trioxatrisilinane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 468.54 g/mol | CAS Common Chemistry |
| 468.5370000000001 g/mol | RDKit | |
| 468.537 g/mol | RDKit | |
| Density | 1.24 g/cm³ | CAS Common Chemistry |
| 1.241 g/cm3 @ 26 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tris(trifluoropropyl)trimethylcyclotrisiloxane | 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 |
| 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 |
| 6.123 | RDKit | |
| Molar Refractivity | 84.54600000000002 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 468.065478102 g/mol | RDKit |
| Boiling Point | 95 °C @ 3 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
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200 ppm
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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 = 468.54 g/mol; density = 1.240 g/mL. Edit any field — others recompute live.
