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Perfluoro(2-Methyl-2-Pentene)
CAS: 1584-03-8 | C6F12
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1584-03-8
Molecular Formula:
C6F12
Molecular Mass:
300.04 g/mol
Names and Synonyms:
Perfluoro(2-Methyl-2-Pentene)
2-Pentene, 1,1,1,3,4,4,5,5,5-nonafluoro-2-(trifluoromethyl)-
2-Pentene, nonafluoro-2-(trifluoromethyl)-
1,1,1,3,4,4,5,5,5-Nonafluoro-2-(trifluoromethyl)-2-pentene
Perfluoro(2-methyl-2-pentene)
2-(Trifluoromethyl)perfluoro-2-pentene
2-(Trifluoromethyl)nonafluoro-2-pentene
Perfluoro(1-ethyl-2-methyl-1-propene)
Hexafluoropropene dimer
Identifiers:
SMILES:
FC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F
InChI:
InChI=1S/C6F12/c7-2(3(8,9)6(16,17)18)1(4(10,11)12)5(13,14)15
Key Properties
Boiling Point
50.5 °C
CAS Common Chemistry
Melting Point
48-50 °C
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 | 300.04 g/mol | CAS Common Chemistry |
| 300.0419999999999 g/mol | RDKit | |
| 299.98083864 g/mol | RDKit | |
| Boiling Point | 50.5 °C | CAS Common Chemistry |
| Canonical SMILES | FC(=C(C(F)(F)F)C(F)(F)F)C(F)(F)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C6F12/c7-2(3(8,9)6(16,17)18)1(4(10,11)12)5(13,14)15 | CAS Common Chemistry |
| InChI Key | InChIKey=FAEGGADNHFKDQX-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 48-50 °C | CAS Common Chemistry |
| Name | Perfluoro(2-methyl-2-pentene) | CAS Common Chemistry |
| Heavy Atom Count | 18 | 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 | 4.5322000000000005 | RDKit |
| Molar Refractivity | 31.246000000000006 | RDKit |
