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Molecule
Tris(Pentafluorophenyl)Borane
CAS: 1109-15-5 · C18BF15
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 1109-15-5
- Molecular Formula
- C18BF15
- Molecular Mass
- 511.98 g/mol
Identifiers
CAS Registry Number
1109-15-5
SMILES
Fc1c(F)c(F)c(B(c2c(F)c(F)c(F)c(F)c2F)c2c(F)c(F)c(F)c(F)c2F)c(F)c1F
InChI Key
OBAJXDYVZBHCGT-UHFFFAOYSA-N
InChI
InChI=1S/C18BF15/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25
Names and Synonyms
- Tris(Pentafluorophenyl)Borane Common Name
- Borane, tris(2,3,4,5,6-pentafluorophenyl)- Synonym
- Borane, tris(pentafluorophenyl)- Synonym
- Tris(2,3,4,5,6-pentafluorophenyl)borane Synonym
- Tris(pentafluorophenyl)borane Synonym
- Perfluorotriphenylboron Synonym
- Tris(pentafluorophenyl)boron Synonym
- Tri(pentafluorophenyl)boron Synonym
- Tris(perfluorophenyl)borane Synonym
- Tri(perfluorophenyl)borane Synonym
- BF 15 Synonym
- Tris(perfluorophenyl)boron Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 511.98 g/mol | CAS Common Chemistry |
| 511.9800000000001 g/mol | RDKit | |
| 511.9853537 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Tris(pentafluorophenyl)borane | CAS Common Chemistry |
| Canonical SMILES | FC=1C(F)=C(F)C(B(C=2C(F)=C(F)C(F)=C(F)C2F)C=3C(F)=C(F)C(F)=C(F)C3F)=C(F)C1F | CAS Common Chemistry |
| InChI | InChI=1S/C18BF15/c20-4-1(5(21)11(27)16(32)10(4)26)19(2-6(22)12(28)17(33)13(29)7(2)23)3-8(24)14(30)18(34)15(31)9(3)25 | CAS Common Chemistry |
| InChI Key | InChIKey=OBAJXDYVZBHCGT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 126-131 °C | CAS Common Chemistry |
| Name | Tris(pentafluorophenyl)borane | CAS Common Chemistry |
| Heavy Atom Count | 34 | 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 | 4.2893 | RDKit |
| Molar Refractivity | 83.35200000000002 cm³/mol | RDKit |
| Ring Count | 3 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 511.978 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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3
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
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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 = 511.98 g/mol. Edit any field — others recompute live.
