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Molecule
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 Mass
- 135.05 g/mol
Identifiers
CAS Registry Number
675-14-9
SMILES
Fc1nc(F)nc(F)n1
InChI Key
VMKJWLXVLHBJNK-UHFFFAOYSA-N
InChI
InChI=1S/C3F3N3/c4-1-7-2(5)9-3(6)8-1
Names and Synonyms
- Cyanuric Fluoride Synonym
- 1,3,5-Triazine, 2,4,6-trifluoro- Synonym
- Cyanuric fluoride Synonym
- s-Triazine, 2,4,6-trifluoro- Synonym
- 2,4,6-Trifluoro-1,3,5-triazine Synonym
- 2,4,6-Trifluoro-s-triazine Synonym
- Trifluoro-s-triazine Synonym
- Cyanuric trifluoride Synonym
- Trifluoro-1,3,5-triazine Synonym
- 2,4,6-Trifluorotriazine Synonym
- 1,3,5-Trifluoro-2,4,6-triazine Synonym
- 2,4,6-Trifluoro-sym-triazine Synonym
- NSC 168386 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 135.05 g/mol | CAS Common Chemistry |
| 135.048 g/mol | RDKit | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Cyanuric_fluoride | CAS Common Chemistry |
| Canonical SMILES | FC=1N=C(F)N=C(F)N1 | CAS Common Chemistry |
| InChI | InChI=1S/C3F3N3/c4-1-7-2(5)9-3(6)8-1 | CAS Common Chemistry |
| InChI Key | InChIKey=VMKJWLXVLHBJNK-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -38 °C | CAS Common Chemistry |
| Name | Cyanuric fluoride | CAS Common Chemistry |
| Heavy Atom Count | 9 | RDKit |
| Hydrogen Bond Acceptors | 3 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 1 | RDKit |
| Topological Polar Surface Area | 38.67 Ų | RDKit |
| 37.08 Ų | chempirical lib | |
| LogP | 0.2889 | RDKit |
| Molar Refractivity | 19.701 cm³/mol | RDKit |
| Ring Count | 1 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 135.00443166 g/mol | RDKit |
| Boiling Point | 72.4 °C @ 760.00 Torr | CAS Common Chemistry |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
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140
120
100
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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 = 135.05 g/mol. Edit any field — others recompute live.
