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Nitrogen Trifluoride
CAS: 7783-54-2 | F3N
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
7783-54-2
Molecular Formula:
F3N
Molecular Weight:
71.001 g/mol
Names and Synonyms:
Nitrogen Trifluoride
Common Name
Trifluoroamine
Synonym
Trifluoroammonia
Synonym
Perfluoroammonia
Synonym
Nitrogen trifluoride
Synonym
Nitrogen fluoride (NF3)
Synonym
Identifiers:
SMILES:
FN(F)F
InChI:
InChI=1S/F3N/c1-4(2)3
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
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3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
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120
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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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 71.00 g/mol | Legacy Database |
| density | 1.92 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Nitrogen_trifluoride None | Legacy Database |
| cas-boiling-point | -129 °C None | Legacy Database |
| cas-canonical-smile | FN(F)F None | Legacy Database |
| cas-density | 1.92 g/cm3 @ Temp: -216.7 °C None | Legacy Database |
| cas-inchi | InChI=1S/F3N/c1-4(2)3 None | Legacy Database |
| cas-inchi-key | InChIKey=GVGCUCJTUSOZKP-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -208.5 °C None | Legacy Database |
| cas-name | Nitrogen trifluoride None | Legacy Database |
| wikipedia-name | Nitrogen trifluoride None | Legacy Database |
| LogP | 0.9419000000000001 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 71.001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 70.99828366 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 4 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 1 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 3.24 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 5.163 | RDKit |