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Perfluorooctyl Iodide
CAS: 507-63-1 | C8F17I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
507-63-1
Molecular Formula:
C8F17I
Molecular Mass:
545.96 g/mol
Names and Synonyms:
Perfluorooctyl Iodide
Octane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-8-iodo-
Octane, heptadecafluoro-1-iodo-
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-8-iodooctane
Heptadecafluoro-1-iodooctane
1-Iodoperfluorooctane
Perfluorooctyl iodide
Perfluoro-1-iodooctane
1-Iodoheptadecafluorooctane
Perfluoro-n-octyl iodide
1-Iodo-1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane
1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-Heptadecafluoro-1-iodooctane
Telomer AN
Heptadecafluoro-n-octyl iodide
Identifiers:
SMILES:
FC(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)I
InChI:
InChI=1S/C8F17I/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26
Key Properties
Boiling Point
163 °C
CAS Common Chemistry
Melting Point
20.8 °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 | 545.96 g/mol | CAS Common Chemistry |
| 545.958 g/mol | RDKit | |
| 545.87732774 g/mol | RDKit | |
| Boiling Point | 163 °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(F)(F)C(F)(F)I | CAS Common Chemistry |
| InChI | InChI=1S/C8F17I/c9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)26 | CAS Common Chemistry |
| InChI Key | InChIKey=KWXGJTSJUKTDQU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 20.8 °C | CAS Common Chemistry |
| Name | Perfluorooctyl iodide | CAS Common Chemistry |
| Heavy Atom Count | 26 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 6 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.388300000000002 | RDKit |
| Molar Refractivity | 54.70399999999999 | RDKit |
