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Molecule
Perfluoroisobutene
CAS: 382-21-8 · C4F8
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 382-21-8
- Molecular Formula
- C4F8
- Molecular Mass
- 200.03 g/mol
Identifiers
CAS Registry Number
382-21-8
SMILES
FC(F)=C(C(F)(F)F)C(F)(F)F
InChI Key
DAFIBNSJXIGBQB-UHFFFAOYSA-N
InChI
InChI=1S/C4F8/c5-2(6)1(3(7,8)9)4(10,11)12
Names and Synonyms
- Perfluoroisobutene Synonym
- 1-Propene, 1,1,3,3,3-pentafluoro-2-(trifluoromethyl)- Synonym
- Propene, pentafluoro-2-(trifluoromethyl)- Synonym
- 1,1,3,3,3-Pentafluoro-2-(trifluoromethyl)-1-propene Synonym
- Perfluoroisobutylene Synonym
- Octafluoroisobutene Synonym
- Octafluoroisobutylene Synonym
- Perfluoroisobutene Synonym
- 1,1,3,3,3-Pentafluoro-2-(trifluoromethyl)propene Synonym
- Perfluoro-2-methylpropene Synonym
- 1,1-Difluoro-2,2-bis(trifluoromethyl)ethene Synonym
- Perfluoro-2-(trifluoromethyl)propene Synonym
- PFIB 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 | 1.59 g/cm³ | CAS Common Chemistry |
| 1.5922 g/cm3 @ 0 °C | CAS Common Chemistry | |
| Wikipedia Url | https://en.wikipedia.org/wiki/Perfluoroisobutene | CAS Common Chemistry |
| Boiling Point | 7 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)=C(C(F)(F)F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C4F8/c5-2(6)1(3(7,8)9)4(10,11)12 | CAS Common Chemistry |
| InChI Key | InChIKey=DAFIBNSJXIGBQB-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,1,3,3,3-Pentafluoro-2-(trifluoromethyl)-1-propene | 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
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 = 200.03 g/mol; density = 1.590 g/mL. Edit any field — others recompute live.
Related
Related molecules
Other compounds with formula C4F8.
