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Molecule
Perfluoro-2-Butene
CAS: 360-89-4 · C4F8
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 360-89-4
- Molecular Formula
- C4F8
- Molecular Mass
- 200.03 g/mol
Identifiers
CAS Registry Number
360-89-4
SMILES
FC(=C(F)C(F)(F)F)C(F)(F)F
InChI Key
WSJULBMCKQTTIG-UHFFFAOYSA-N
InChI
InChI=1S/C4F8/c5-1(3(7,8)9)2(6)4(10,11)12
Names and Synonyms
- Perfluoro-2-Butene Common Name
- 2-Butene, 1,1,1,2,3,4,4,4-octafluoro- Synonym
- 2-Butene, octafluoro- Synonym
- 1,1,1,2,3,4,4,4-Octafluoro-2-butene Synonym
- Perfluoro-2-butene Synonym
- Octafluoro-2-butene Synonym
- Perfluorobutene-2 Synonym
- Perfluoro-1-methylpropene Synonym
- R 1318my Synonym
- FC 1318 Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 200.03 g/mol | CAS Common Chemistry |
| 200.02799999999996 g/mol | RDKit | |
| 200.028 g/mol | RDKit | |
| Density | 1.53 g/cm³ | CAS Common Chemistry |
| 1.5297 g/cm3 @ 0 °C | CAS Common Chemistry | |
| Boiling Point | 1.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC(=C(F)C(F)(F)F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C4F8/c5-1(3(7,8)9)2(6)4(10,11)12 | CAS Common Chemistry |
| InChI Key | InChIKey=WSJULBMCKQTTIG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -129 °C | CAS Common Chemistry |
| Name | Perfluoro-2-butene | CAS Common Chemistry |
| Heavy Atom Count | 12 | 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 | 3.2615999999999996 | RDKit |
| 3.2616 | RDKit | |
| Molar Refractivity | 21.352000000000004 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.5 | RDKit |
| Exact Mass | 199.98722576 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
Predicting NMR spectra...
10 ppm
9
8
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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 = 200.03 g/mol; density = 1.530 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4F8.
