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Molecule
Niobium(V) Fluoride
CAS: 7783-68-8 · F5Nb
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 7783-68-8
- Molecular Formula
- F5Nb
- Molecular Mass
- 187.90 g/mol
Identifiers
CAS Registry Number
7783-68-8
SMILES
[F-].[F-].[F-].[F-].[F-].[Nb+5]
InChI Key
AOLPZAHRYHXPLR-UHFFFAOYSA-I
InChI
InChI=1S/5FH.Nb/h5*1H;/q;;;;;+5/p-5
Names and Synonyms
- Niobium(V) Fluoride Common Name
- Niobium fluoride (NbF5), (TB-5-11)- Synonym
- Niobium fluoride (NbF5) Synonym
- Niobium pentafluoride Synonym
- Niobium(V) fluoride Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 187.90 g/mol | CAS Common Chemistry |
| 187.89600000000002 g/mol | RDKit | |
| 187.8983942 g/mol | RDKit | |
| 195.96 g/mol | chempirical lib | |
| Density | 2.70 g/cm³ | CAS Common Chemistry |
| 2.6955 g/cm3 @ 80.04 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Niobium(V)_fluoride | CAS Common Chemistry |
| Boiling Point | 234.9 °C | CAS Common Chemistry |
| Canonical SMILES | F[Nb](F)(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/5FH.Nb/h5*1H;/q;;;;;+5/p-5 | CAS Common Chemistry |
| InChI Key | InChIKey=AOLPZAHRYHXPLR-UHFFFAOYSA-I | CAS Common Chemistry |
| Melting Point | 80.0 °C | CAS Common Chemistry |
| Name | Niobium pentafluoride | CAS Common Chemistry |
| Heavy Atom Count | 6 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | -14.9825 | RDKit |
| Molar Refractivity | 0.0 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 187.896 g/mol | RDKit |
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
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MW = 187.90 g/mol; density = 2.700 g/mL. Edit any field — others recompute live.
