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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 Mass:
150.02 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
Key Properties
Boiling Point
-29.6 °C
CAS Common Chemistry
Melting Point
-156.5 °C
CAS Common Chemistry
Density
1.58 g/cm³
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 | |
| Density | 1.58 g/cm³ | CAS Common Chemistry |
| 1.583 g/cm3 @ Temp: -40 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hexafluoropropylene | CAS Common Chemistry |
| Boiling Point | -29.6 °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 |
| Melting Point | -156.5 °C | CAS Common Chemistry |
| Name | Hexafluoropropylene | 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 |
