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Molecule
Hexafluoropropylene
CAS: 116-15-4 · C3F6
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 116-15-4
- Molecular Formula
- C3F6
- Molecular Mass
- 150.02 g/mol
Identifiers
CAS Registry Number
116-15-4
SMILES
FC(F)=C(F)C(F)(F)F
InChI Key
HCDGVLDPFQMKDK-UHFFFAOYSA-N
InChI
InChI=1S/C3F6/c4-1(2(5)6)3(7,8)9
Names and Synonyms
- Hexafluoropropylene Synonym
- 1-Propene, 1,1,2,3,3,3-hexafluoro- Synonym
- Propene, hexafluoro- Synonym
- 1,1,2,3,3,3-Hexafluoro-1-propene Synonym
- Hexafluoro-1-propene Synonym
- Perfluoropropene Synonym
- Perfluoropropylene Synonym
- Hexafluoropropene Synonym
- Perfluoro-1-propene Synonym
- Hexafluoropropylene Synonym
- 1,1,2,3,3,3-Hexafluoropropene Synonym
- R 1216 Synonym
- F 1216 Synonym
- Propylene hexafluoride Synonym
- Esafluoropropene Synonym
- PFC 1216 Synonym
- HFC 1216 Synonym
- HFO 1216 Synonym
- FO 1216 Synonym
- HFP Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.02 g/mol | CAS Common Chemistry |
| 150.021 g/mol | RDKit | |
| Density | 1.58 g/cm³ | CAS Common Chemistry |
| 1.583 g/cm3 @ -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 |
| 2.79 | chempirical lib | |
| Molar Refractivity | 16.405 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.3333 | RDKit |
| 0.33 | chempirical lib | |
| Exact Mass | 149.99041932 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
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Quick conversion
MW = 150.02 g/mol; density = 1.580 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C3F6.
