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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 Mass:
113.88 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
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 |
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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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 113.88 g/mol | CAS Common Chemistry |
| 113.87500000000001 g/mol | RDKit | |
| 114.046379872 g/mol | RDKit | |
| Canonical SMILES | [F-][B+3]([F-])([F-])O(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C2H6BF3O/c1-7(2)3(4,5)6/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=FOWZWMGLMYVYDH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (T-4)-Trifluoro[oxybis[methane]]boron | CAS Common Chemistry |
| Heavy Atom Count | 7 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 2.700000000000001 Ų | RDKit |
| LogP | 1.1424 | RDKit |
| Molar Refractivity | 22.010999999999992 | RDKit |
