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Molecule
1,1′,1′′-(Fluorosilylidyne)Tris[Benzene]
CAS: 379-50-0 · C18H15FSi
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 379-50-0
- Molecular Formula
- C18H15FSi
- Molecular Mass
- 278.40 g/mol
Identifiers
CAS Registry Number
379-50-0
SMILES
F[Si](c1ccccc1)(c1ccccc1)c1ccccc1
InChI Key
UBGXLEFOIVWVRP-UHFFFAOYSA-N
InChI
InChI=1S/C18H15FSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H
Names and Synonyms
- 1,1′,1′′-(Fluorosilylidyne)Tris[Benzene] Synonym
- Benzene, 1,1′,1′′-(fluorosilylidyne)tris- Synonym
- Silane, fluorotriphenyl- Synonym
- 1,1′,1′′-(Fluorosilylidyne)tris[benzene] Synonym
- Trisyl fluoride Synonym
- Triphenylfluorosilane Synonym
- Triphenylsilicon fluoride Synonym
- Fluorotriphenylsilane Synonym
- Triphenylsilyl fluoride Synonym
- NSC 139863 Synonym
- NSC 43086 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 278.40 g/mol | CAS Common Chemistry |
| 278.402 g/mol | RDKit | |
| Density | 1.21 g/cm³ | CAS Common Chemistry |
| 1.212 g/cm3 | CAS Common Chemistry | |
| Canonical SMILES | F[Si](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/C18H15FSi/c19-20(16-10-4-1-5-11-16,17-12-6-2-7-13-17)18-14-8-3-9-15-18/h1-15H | CAS Common Chemistry |
| InChI Key | InChIKey=UBGXLEFOIVWVRP-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 61-62 °C | CAS Common Chemistry |
| Name | 1,1′,1′′-(Fluorosilylidyne)tris[benzene] | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 2.623000000000001 | RDKit |
| 2.623 | RDKit | |
| Molar Refractivity | 85.09000000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 278.09270523000004 g/mol | RDKit |
| Boiling Point | 207-210 °C @ 12 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
7
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5
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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 = 278.40 g/mol; density = 1.210 g/mL. Edit any field — others recompute live.
