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Cyanuric Fluoride
CAS: 675-14-9 | C3F3N3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
675-14-9
Molecular Formula:
C3F3N3
Molecular Weight:
135.048 g/mol
Names and Synonyms:
Cyanuric Fluoride
1,3,5-Triazine, 2,4,6-trifluoro-
Cyanuric fluoride
s-Triazine, 2,4,6-trifluoro-
2,4,6-Trifluoro-1,3,5-triazine
2,4,6-Trifluoro-s-triazine
Trifluoro-s-triazine
Cyanuric trifluoride
Trifluoro-1,3,5-triazine
2,4,6-Trifluorotriazine
1,3,5-Trifluoro-2,4,6-triazine
2,4,6-Trifluoro-sym-triazine
NSC 168386
Identifiers:
SMILES:
Fc1nc(F)nc(F)n1
InChI:
InChI=1S/C3F3N3/c4-1-7-2(5)9-3(6)8-1
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 | 135.05 g/mol | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Cyanuric_fluoride None | Legacy Database |
| cas-boiling-point | 72.4 °C @ Press: 760.00 Torr None | Legacy Database |
| cas-canonical-smile | FC=1N=C(F)N=C(F)N1 None | Legacy Database |
| cas-inchi | InChI=1S/C3F3N3/c4-1-7-2(5)9-3(6)8-1 None | Legacy Database |
| cas-inchi-key | InChIKey=VMKJWLXVLHBJNK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -38 °C None | Legacy Database |
| cas-name | Cyanuric fluoride None | Legacy Database |
| wikipedia-name | Cyanuric fluoride None | Legacy Database |
| LogP | 0.2889 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 135.048 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 135.00443166 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 3 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 1 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 38.67 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 19.701 | RDKit |
