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(Perfluorobutyl)Ethylene
CAS: 19430-93-4 | C6H3F9
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
19430-93-4
Molecular Formula:
C6H3F9
Molecular Mass:
246.07 g/mol
Names and Synonyms:
(Perfluorobutyl)Ethylene
1-Hexene, 3,3,4,4,5,5,6,6,6-nonafluoro-
3,3,4,4,5,5,6,6,6-Nonafluoro-1-hexene
1,1,2-Trihydroperfluoro-1-hexene
(Perfluorobutyl)ethene
(Perfluorobutyl)ethylene
1H,1H,2H-Nonafluoro-1-hexene
Zonyl PFBE
3,3,4,4,5,5,6,6,6-Nonafluorohexene
F 1420
1H,1H,2H-Perfluoro-1-hexene
6,6,6,5,5,4,4,3,3-Nonafluoro-1-hexene
Cheminox PFBE
1-(Perfluorobutyl)ethene
Identifiers:
SMILES:
C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI:
InChI=1S/C6H3F9/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H,1H2
Key Properties
Boiling Point
59 °C @ Press: 760 Torr
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 | 246.07 g/mol | CAS Common Chemistry |
| 246.07199999999995 g/mol | RDKit | |
| 246.009104076 g/mol | RDKit | |
| Boiling Point | 59 °C @ Press: 760 Torr | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C6H3F9/c1-2-3(7,8)4(9,10)5(11,12)6(13,14)15/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=GVEUEBXMTMZVSD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Perfluorobutyl)ethylene | CAS Common Chemistry |
| Heavy Atom Count | 15 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 3 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.6406 | RDKit |
| Molar Refractivity | 31.093000000000004 | RDKit |
