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Molecule
(Perfluorohexyl)Ethylene
CAS: 25291-17-2 · C8H3F13
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 25291-17-2
- Molecular Formula
- C8H3F13
- Molecular Mass
- 346.09 g/mol
Identifiers
CAS Registry Number
25291-17-2
SMILES
C=CC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
InChI Key
FYQFWFHDPNXORA-UHFFFAOYSA-N
InChI
InChI=1S/C8H3F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H,1H2
Names and Synonyms
- (Perfluorohexyl)Ethylene Common Name
- 1-Octene, 3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluoro- Synonym
- 3,3,4,4,5,5,6,6,7,7,8,8,8-Tridecafluoro-1-octene Synonym
- 1,1,2-Trihydroperfluoro-1-octene Synonym
- (Perfluorohexyl)ethene Synonym
- 1H,1H,2H-Tridecafluoro-1-octene Synonym
- 1H,1H,2H-Perfluoro-1-octene Synonym
- (Perfluorohexyl)ethylene Synonym
- ET 600 (fluorocompound) Synonym
- ET 600 Synonym
- Cheminox PFHE Synonym
- F 1620 Synonym
- 1H,1H,2H,2H-Perfluorooct-1-ene Synonym
- C 60LF Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 346.09 g/mol | CAS Common Chemistry |
| 346.08599999999996 g/mol | RDKit | |
| 346.086 g/mol | RDKit | |
| Boiling Point | 104 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C=C | CAS Common Chemistry |
| InChI | InChI=1S/C8H3F13/c1-2-3(9,10)4(11,12)5(13,14)6(15,16)7(17,18)8(19,20)21/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=FYQFWFHDPNXORA-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | (Perfluorohexyl)ethylene | CAS Common Chemistry |
| Heavy Atom Count | 21 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 5 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 4.911200000000001 | RDKit |
| 4.9112 | RDKit | |
| Molar Refractivity | 40.98700000000001 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 0.75 | RDKit |
| Exact Mass | 346.00271695600003 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 = 346.09 g/mol. Edit any field — others recompute live.
