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Molecule
(T-4)-Trifluoro(Tetrahydrofuran)Boron
CAS: 462-34-0 · C4H8BF3O
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 462-34-0
- Molecular Formula
- C4H8BF3O
- Molecular Mass
- 139.913 g/mol
Identifiers
CAS Registry Number
462-34-0
SMILES
F[B-](F)(F)[O+]1CCCC1
InChI Key
XYMZNNGTHKHCJH-UHFFFAOYSA-N
InChI
InChI=1S/C4H8BF3O/c6-5(7,8)9-3-1-2-4-9/h1-4H2
Names and Synonyms
- (T-4)-Trifluoro(Tetrahydrofuran)Boron Common Name
- Boron, trifluoro(tetrahydrofuran)-, (T-4)- Synonym
- Furan, tetrahydro-, compd. with boron fluoride (BF3) (1:1) Synonym
- Furan, tetrahydro-, compd. with trifluoroborane (1:1) Synonym
- Furan, tetrahydro-, compd. with BF3 (1:1) Synonym
- Furan, tetrahydro-, compd. with BF3 Synonym
- Boron fluoride (BF3), compd. with tetrahydrofuran (1:1) Synonym
- Borane, trifluoro-, compd. with tetrahydrofuran (1:1) Synonym
- (T-4)-Trifluoro(tetrahydrofuran)boron Synonym
- Boron trifluoride-tetrahydrofuran compound Synonym
- Boron trifluoride-tetrahydrofuran complex (1:1) Synonym
- Boron trifluoride-THF complex (1:1) Synonym
- Trifluoro(tetrahydrofuran)boron Synonym
- Boron fluoride, compd. with tetrahydrofuran Synonym
- BF3·THF Synonym
- Boron trifluoride THF complex Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Canonical SMILES | [F-][B+3]([F-])([F-])O1CCCC1 | CAS Common Chemistry |
| InChI | InChI=1S/C4H8BF3O/c6-5(7,8)9-3-1-2-4-9/h1-4H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XYMZNNGTHKHCJH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (T-4)-Trifluoro(tetrahydrofuran)boron | CAS Common Chemistry |
| Molecular Mass | 139.913 g/mol | RDKit |
| 140.062029936 g/mol | RDKit | |
| 139.911 g/mol | chempirical lib | |
| Heavy Atom Count | 9 | 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 |
| 2.7 Ų | RDKit | |
| LogP | 1.6765999999999999 | RDKit |
| 1.6766 | RDKit | |
| Molar Refractivity | 29.13099999999999 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 139.91 g/mol | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
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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.
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MW = 139.91 g/mol. Edit any field — others recompute live.
