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Hexafluoropropylene
CAS: 116-15-4 | C3F6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
116-15-4
Molecular Formula:
C3F6
Molecular Weight:
150.021 g/mol
Names and Synonyms:
Hexafluoropropylene
1-Propene, 1,1,2,3,3,3-hexafluoro-
Propene, hexafluoro-
1,1,2,3,3,3-Hexafluoro-1-propene
Hexafluoro-1-propene
Perfluoropropene
Perfluoropropylene
Hexafluoropropene
Perfluoro-1-propene
Hexafluoropropylene
1,1,2,3,3,3-Hexafluoropropene
R 1216
F 1216
Propylene hexafluoride
Esafluoropropene
PFC 1216
HFC 1216
HFO 1216
FO 1216
HFP
Identifiers:
SMILES:
FC(F)=C(F)C(F)(F)F
InChI:
InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9
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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 150.021 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 149.99041932 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 9 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 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 | 0.0 Ų | RDKit |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 2.6263 | RDKit |
| molecular_mass | 150.02 g/mol | Legacy Database |
| density | 1.58 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/Hexafluoropropylene None | Legacy Database |
| cas-boiling-point | -29.6 °C None | Legacy Database |
| cas-canonical-smile | FC(F)=C(F)C(F)(F)F None | Legacy Database |
| cas-density | 1.583 g/cm3 @ Temp: -40 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9 None | Legacy Database |
| cas-inchi-key | InChIKey=HCDGVLDPFQMKDK-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -156.5 °C None | Legacy Database |
| cas-name | Hexafluoropropylene None | Legacy Database |
| wikipedia-name | Hexafluoropropylene None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.405 | RDKit |
