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Molecule
Hexafluorobutadiene
CAS: 685-63-2 · C4F6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 685-63-2
- Molecular Formula
- C4F6
- Molecular Mass
- 162.03 g/mol
Identifiers
CAS Registry Number
685-63-2
SMILES
FC(F)=C(F)C(F)=C(F)F
InChI Key
LGPPATCNSOSOQH-UHFFFAOYSA-N
InChI
InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10
Names and Synonyms
- Hexafluorobutadiene Common Name
- 1,3-Butadiene, 1,1,2,3,4,4-hexafluoro- Synonym
- 1,3-Butadiene, hexafluoro- Synonym
- 1,1,2,3,4,4-Hexafluoro-1,3-butadiene Synonym
- Hexafluoro-1,3-butadiene Synonym
- Perfluoro-1,3-butadiene Synonym
- Sifren 46 Synonym
- FC 2316 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 162.03 g/mol | CAS Common Chemistry |
| 162.03199999999998 g/mol | RDKit | |
| 162.032 g/mol | RDKit | |
| Density | 1.44 g/cm³ | CAS Common Chemistry |
| 1.44 g/cm3 @ 15 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Hexafluorobutadiene | CAS Common Chemistry |
| Boiling Point | 6 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)=C(F)C(F)=C(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C4F6/c5-1(3(7)8)2(6)4(9)10 | CAS Common Chemistry |
| InChI Key | InChIKey=LGPPATCNSOSOQH-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -132 °C | CAS Common Chemistry |
| Name | Hexafluoro-1,3-butadiene | CAS Common Chemistry |
| Heavy Atom Count | 10 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.1416 | RDKit |
| 2.83 | chempirical lib | |
| Molar Refractivity | 20.700000000000003 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.0 | RDKit |
| Exact Mass | 161.99041932 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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MW = 162.03 g/mol; density = 1.440 g/mL. Edit any field — others recompute live.
