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1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-Iododecane
CAS: 2043-53-0 | C10H4F17I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2043-53-0
Molecular Formula:
C10H4F17I
Molecular Mass:
574.01 g/mol
Names and Synonyms:
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-Iododecane
1-Iodo-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane
1-Iodo-2-(perfluorooctyl)ethane
1H,1H,2H,2H-Perfluorodecyl iodide
10-Iodo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane
Decane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodo-
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane
1-Iodo-1,1,2,2-tetrahydroperfluorodecane
1,1,2,2-Tetrahydroperfluorodecyl iodide
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl iodide
1-(2-Iodoethyl)heptadecafluorooctane
2-(Perfluorooctyl)ethyl iodide
1-(Perfluorooctyl)-2-iodoethane
2-(n-Perfluorooctyl)ethyl iodide
1-Iodo-1H,1H,2H,2H-perfluorodecane
1H,1H,2H,2H-Heptadecaflurorodecyl iodide
Perfluorooctylethyl iodide
3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-iododecane
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)CCI
InChI:
InChI=1S/C10H4F17I/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2
Key Properties
Boiling Point
90-91 °C @ Press: 10 Torr
CAS Common Chemistry
Melting Point
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 | 574.01 g/mol | CAS Common Chemistry |
| 574.0120000000001 g/mol | RDKit | |
| 573.908627868 g/mol | RDKit | |
| Boiling Point | 90-91 °C @ Press: 10 Torr | 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)CCI | CAS Common Chemistry |
| InChI | InChI=1S/C10H4F17I/c11-3(12,1-2-28)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=XVKJSLBVVRCOIT-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 50 °C | CAS Common Chemistry |
| Name | 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane | CAS Common Chemistry |
| Heavy Atom Count | 28 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 8 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 6.820900000000003 | RDKit |
| Molar Refractivity | 64.188 | RDKit |
