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Molecule
Dimethoxymethyl(3,3,3-Trifluoropropyl)Silane
CAS: 358-67-8 · C6H13F3O2Si
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 358-67-8
- Molecular Formula
- C6H13F3O2Si
- Molecular Mass
- 202.25 g/mol
Identifiers
CAS Registry Number
358-67-8
SMILES
CO[Si](C)(CCC(F)(F)F)OC
InChI Key
DIJRHOZMLZRNLM-UHFFFAOYSA-N
InChI
InChI=1S/C6H13F3O2Si/c1-10-12(3,11-2)5-4-6(7,8)9/h4-5H2,1-3H3
Names and Synonyms
- Dimethoxymethyl(3,3,3-Trifluoropropyl)Silane Systematic Name
- Silane, dimethoxymethyl(3,3,3-trifluoropropyl)- Synonym
- Dimethoxymethyl(3,3,3-trifluoropropyl)silane Synonym
- T 2842 Synonym
- (3,3,3-Trifluoropropyl)(methyl)dimethoxysilane Synonym
- LS 1080 Synonym
- 3,3,3-Trifluoropropyldimethoxymethylsilane Synonym
- Methyl(3,3,3-trifluoropropyl)dimethoxysilane Synonym
- FD 1001 Synonym
- SiSiB PC 9711 Synonym
- PC 9711 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 202.25 g/mol | CAS Common Chemistry |
| 202.24799999999996 g/mol | RDKit | |
| 202.248 g/mol | RDKit | |
| Density | 1.10 g/cm³ | CAS Common Chemistry |
| 1.1 g/cm3 | CAS Common Chemistry | |
| Boiling Point | 118 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)CC[Si](OC)(OC)C | CAS Common Chemistry |
| InChI | InChI=1S/C6H13F3O2Si/c1-10-12(3,11-2)5-4-6(7,8)9/h4-5H2,1-3H3 | CAS Common Chemistry |
| InChI Key | InChIKey=DIJRHOZMLZRNLM-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Dimethoxymethyl(3,3,3-trifluoropropyl)silane | CAS Common Chemistry |
| Heavy Atom Count | 12 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 4 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 18.46 Ų | RDKit |
| LogP | 2.3036000000000003 | RDKit |
| 2.3036 | RDKit | |
| Molar Refractivity | 41.11500000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 202.063690846 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
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| Shift (ppm) | Multiplicity | Integration | Assignment |
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200 ppm
180
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20
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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.
External Resources
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MW = 202.25 g/mol; density = 1.100 g/mL. Edit any field — others recompute live.
