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1-Propene, 1,1,2,3,3,3-Hexafluoro-, Dimer
CAS: 13429-24-8 | C3F6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
13429-24-8
Molecular Formula:
C3F6
Molecular Mass:
150.02 g/mol
Names and Synonyms:
1-Propene, 1,1,2,3,3,3-Hexafluoro-, Dimer
1-Propene, 1,1,2,3,3,3-hexafluoro-, dimer
Propene, hexafluoro-, cyclic dimer
Hexafluoropropene dimer
Hexafluoropropylene dimer
Cheminox HFP-D
1,1,2,3,3,3-Hexafluoro-1-propene dimer
Identifiers:
SMILES:
FC(F)=C(F)C(F)(F)F
InChI:
InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9
Key Properties
Boiling Point
56 °C
CAS Common Chemistry
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
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.02 g/mol | CAS Common Chemistry |
| 150.021 g/mol | RDKit | |
| 149.99041932 g/mol | RDKit | |
| Boiling Point | 56 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)=C(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9 | CAS Common Chemistry |
| InChI Key | InChIKey=HCDGVLDPFQMKDK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Propene, 1,1,2,3,3,3-hexafluoro-, dimer | CAS Common Chemistry |
| Heavy Atom Count | 9 | 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 | 2.6263 | RDKit |
| Molar Refractivity | 16.405 | RDKit |
