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Molecule
Bstfa
CAS: 25561-30-2 · C8H18F3NOSi2
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 25561-30-2
- Molecular Formula
- C8H18F3NOSi2
- Molecular Mass
- 257.40 g/mol
Identifiers
CAS Registry Number
25561-30-2
SMILES
C[Si](C)(C)N=C(O[Si](C)(C)C)C(F)(F)F
InChI Key
XCOBLONWWXQEBS-UHFFFAOYSA-N
InChI
InChI=1S/C8H18F3NOSi2/c1-14(2,3)12-7(8(9,10)11)13-15(4,5)6/h1-6H3
Names and Synonyms
- Bstfa Synonym
- Ethanimidic acid, 2,2,2-trifluoro-N-(trimethylsilyl)-, trimethylsilyl ester Synonym
- Acetimidic acid, 2,2,2-trifluoro-N-(trimethylsilyl)-, trimethylsilyl ester Synonym
- Silanol, trimethyl-, 2,2,2-trifluoro-N-(trimethylsilyl)acetimidate Synonym
- N,O-Bis(trimethylsilyl)trifluoroacetamide Synonym
- Trifluoro-N,O-bis(trimethylsilyl)acetamide Synonym
- 2,2,2-Trifluoro-N,O-bis(trimethylsilyl)acetamide Synonym
- N,O-Bis(trimethylsilyl)trifluoracetamide Synonym
- BSTFA Synonym
- Bis(trimethylsilyl)trifluoroacetamide Synonym
- NSC 379423 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 257.40 g/mol | CAS Common Chemistry |
| 257.40399999999994 g/mol | RDKit | |
| 257.404 g/mol | RDKit | |
| Density | 0.97 g/cm³ | CAS Common Chemistry |
| 0.969 g/cm3 | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/BSTFA | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(=N[Si](C)(C)C)O[Si](C)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C8H18F3NOSi2/c1-14(2,3)12-7(8(9,10)11)13-15(4,5)6/h1-6H3 | CAS Common Chemistry |
| InChI Key | InChIKey=XCOBLONWWXQEBS-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -10 °C | CAS Common Chemistry |
| Name | Bis(trimethylsilyl)trifluoroacetamide | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 2 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 21.59 Ų | RDKit |
| LogP | 3.633600000000003 | RDKit |
| 3.6336 | RDKit | |
| 3.78 | chempirical lib | |
| Molar Refractivity | 61.26700000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.875 | RDKit |
| 0.88 | chempirical lib | |
| Exact Mass | 257.087901916 g/mol | RDKit |
| Boiling Point | 45-50 °C @ 15 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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MW = 257.40 g/mol; density = 0.970 g/mL. Edit any field — others recompute live.
