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(T-4)-Trifluoro(Tetrahydrofuran)Boron
CAS: 462-34-0 | C4H8BF3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
462-34-0
Molecular Formula:
C4H8BF3O
Molecular Weight:
139.913 g/mol
Names and Synonyms:
(T-4)-Trifluoro(Tetrahydrofuran)Boron
Boron trifluoride THF complex
BF3·THF
Boron fluoride, compd. with tetrahydrofuran
Trifluoro(tetrahydrofuran)boron
Boron trifluoride-THF complex (1:1)
Boron trifluoride-tetrahydrofuran complex (1:1)
Boron trifluoride-tetrahydrofuran compound
(T-4)-Trifluoro(tetrahydrofuran)boron
Borane, trifluoro-, compd. with tetrahydrofuran (1:1)
Boron fluoride (BF3), compd. with tetrahydrofuran (1:1)
Furan, tetrahydro-, compd. with BF3
Furan, tetrahydro-, compd. with BF3 (1:1)
Furan, tetrahydro-, compd. with trifluoroborane (1:1)
Furan, tetrahydro-, compd. with boron fluoride (BF3) (1:1)
Boron, trifluoro(tetrahydrofuran)-, (T-4)-
Identifiers:
SMILES:
F[B-](F)(F)[O+]1CCCC1
InChI:
InChI=1S/C4H8BF3O/c6-5(7,8)9-3-1-2-4-9/h1-4H2
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 |
|---|
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 139.91 g/mol | Legacy Database |
| LogP | 1.6765999999999999 | RDKit |
| cas-canonical-smile | [F-][B+3]([F-])([F-])O1CCCC1 None | Legacy Database |
| cas-inchi | InChI=1S/C4H8BF3O/c6-5(7,8)9-3-1-2-4-9/h1-4H2 None | Legacy Database |
| cas-inchi-key | InChIKey=XYMZNNGTHKHCJH-UHFFFAOYSA-N None | Legacy Database |
| cas-name | (T-4)-Trifluoro(tetrahydrofuran)boron None | Legacy Database |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 139.913 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 140.062029936 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 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 |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 29.13099999999999 | RDKit |
