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(T-4)-Trifluoro[Oxybis[Methane]]Boron
CAS: 353-42-4 | C2H6BF3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
353-42-4
Molecular Formula:
C2H6BF3O
Molecular Weight:
113.87500000000001 g/mol
Names and Synonyms:
(T-4)-Trifluoro[Oxybis[Methane]]Boron
Boron, trifluoro[oxybis[methane]]-, (T-4)-
Methyl ether, compd. with boron fluoride (BF3) (1:1)
Borane, trifluoro-, compd. with oxybis[methane] (1:1)
Methyl ether, compd. with BF3 (1:1)
Boron fluoride (BF3), compd. with methyl ether (1:1)
Methane, oxybis-, compd. with trifluoroborane (1:1)
Methane, oxybis-, boron complex
(T-4)-Trifluoro[oxybis[methane]]boron
Boron trifluoride-dimethyl ether complex
Boron trifluoride compound with methyl ether (1:1)
Boron fluoride complex with dimethyl ether
Boron trifluoride compd. with methyl ether
Boron trifluoride dimethyl etherate
(Dimethyl ether)trifluoroboron
Identifiers:
SMILES:
C[O+](C)[B-](F)(F)F
InChI:
InChI=1S/C2H6BF3O/c1-7(2)3(4,5)6/h1-2H3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
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5
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
100
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40
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.
All Properties
Comprehensive physical and chemical properties
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 113.87500000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 114.046379872 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 7 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 1 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 2.700000000000001 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.1424 | RDKit |
| molecular_mass | 113.88 g/mol | Legacy Database |
| cas-canonical-smile | [F-][B+3]([F-])([F-])O(C)C None | Legacy Database |
| cas-inchi | InChI=1S/C2H6BF3O/c1-7(2)3(4,5)6/h1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=FOWZWMGLMYVYDH-UHFFFAOYSA-N None | Legacy Database |
| cas-name | (T-4)-Trifluoro[oxybis[methane]]boron None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 22.010999999999992 | RDKit |
