Back to Search
Molecule
Boron Trifluoride Methanol Complex
CAS: 16045-88-8 · CH4BF3O
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 16045-88-8
- Molecular Formula
- CH4BF3O
- Molecular Mass
- 99.85 g/mol
Identifiers
CAS Registry Number
16045-88-8
SMILES
C[OH+][B-](F)(F)F
InChI Key
HVSJMIXESOIWBH-UHFFFAOYSA-N
InChI
InChI=1S/CH4BF3O/c1-6-2(3,4)5/h6H,1H3
Names and Synonyms
- Boron Trifluoride Methanol Complex Synonym
- Boron, trifluoro(methanol)-, (T-4)- Synonym
- Methanol, compd. with boron fluoride (BF3) (1:1) Synonym
- Methanol, compd. with trifluoroborane (1:1) Synonym
- Methanol, compd. with BF3 (1:1) Synonym
- Boron fluoride (BF3), compd. with methanol (1:1) Synonym
- Borane, trifluoro-, compd. with methanol (1:1) Synonym
- Methanol, boron complex Synonym
- (T-4)-Trifluoro(methanol)boron Synonym
- Methoxytrifluoboric acid Synonym
- Boron trifluoride compd. with methanol (1:1) Synonym
- Boron trifluoride-methanol (1:1) Synonym
- Trifluoro(methanol)boron Synonym
- Boron fluoride methanolate Synonym
- Boron trifluoride methanol complex Synonym
- Methanol trifluoroborane complex (1:1) Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 99.85 g/mol | CAS Common Chemistry |
| 99.84800000000001 g/mol | RDKit | |
| 100.030729808 g/mol | RDKit | |
| 99.848 g/mol | RDKit | |
| Canonical SMILES | [F-][B+3]([F-])([F-])[OH]C | CAS Common Chemistry |
| InChI | InChI=1S/CH4BF3O/c1-6-2(3,4)5/h6H,1H3 | CAS Common Chemistry |
| InChI Key | InChIKey=HVSJMIXESOIWBH-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Boron trifluoride methanol complex | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 12.8 Ų | RDKit |
| LogP | 0.4883 | RDKit |
| Molar Refractivity | 17.220800000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 99.846 g/mol | chempirical lib |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 99.85 g/mol. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula CH4BF3O.
