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Molecule
Triphenyltin Fluoride
CAS: 379-52-2 · C18H15FSn
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 379-52-2
- Molecular Formula
- C18H15FSn
- Molecular Mass
- 369.03 g/mol
Identifiers
CAS Registry Number
379-52-2
SMILES
[F-].[Sn+].[c]1ccccc1.[c]1ccccc1.[c]1ccccc1
InChI Key
JBYRKMGOSFMHRL-UHFFFAOYSA-M
InChI
InChI=1S/3C6H5.FH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1
Names and Synonyms
- Triphenyltin Fluoride Synonym
- Stannane, fluorotriphenyl- Synonym
- Triphenyltin fluoride Synonym
- Tin, fluorotriphenyl- Synonym
- Fluorotriphenylstannane Synonym
- BioMeT 204 Synonym
- Tin triphenylfluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 369.03 g/mol | CAS Common Chemistry |
| 369.0270000000001 g/mol | RDKit | |
| 370.0179734 g/mol | RDKit | |
| 375.074 g/mol | chempirical lib | |
| Canonical SMILES | F[Sn](C=1C=CC=CC1)(C=2C=CC=CC2)C=3C=CC=CC3 | CAS Common Chemistry |
| InChI | InChI=1S/3C6H5.FH.Sn/c3*1-2-4-6-5-3-1;;/h3*1-5H;1H;/q;;;;+1/p-1 | CAS Common Chemistry |
| InChI Key | InChIKey=JBYRKMGOSFMHRL-UHFFFAOYSA-M | CAS Common Chemistry |
| Melting Point | 357 °C (decomp) | CAS Common Chemistry |
| Name | Triphenyltin fluoride | CAS Common Chemistry |
| Heavy Atom Count | 20 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 3 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 1.0835700000000004 | RDKit |
| 1.0836 | RDKit | |
| Molar Refractivity | 81.58800000000005 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 369.027 g/mol | RDKit |
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 = 369.03 g/mol. Edit any field — others recompute live.
