Back to Search
1-Iodo-1H,1H,2H,2H-Perfluorododecane
CAS: 2043-54-1 | C12H4F21I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
2043-54-1
Molecular Formula:
C12H4F21I
Molecular Mass:
674.03 g/mol
Names and Synonyms:
1-Iodo-1H,1H,2H,2H-Perfluorododecane
Dodecane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-heneicosafluoro-12-iodo-
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Heneicosafluoro-12-iodododecane
1-(2-Iodoethyl)heneicosafluorodecane
1-Iodo-1H,1H,2H,2H-perfluorododecane
Perfluorodecylethyl iodide
2-(Perfluorodecyl)ethyl iodide
1-Iodo-2-(perfluorodecanyl)ethane
1H,1H,2H,2H-Perfluorododecyl iodide
1H,1H,2H,2H-Perfluododecyl iodide
1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluoro-12-iodododecane
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)C(F)(F)C(F)(F)CCI
InChI:
InChI=1S/C12H4F21I/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2
Key Properties
Boiling Point
108 °C @ Press: 10 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 | 674.03 g/mol | CAS Common Chemistry |
| 674.0259999999998 g/mol | RDKit | |
| 673.902240748 g/mol | RDKit | |
| Boiling Point | 108 °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)C(F)(F)C(F)(F)CCI | CAS Common Chemistry |
| InChI | InChI=1S/C12H4F21I/c13-3(14,1-2-34)4(15,16)5(17,18)6(19,20)7(21,22)8(23,24)9(25,26)10(27,28)11(29,30)12(31,32)33/h1-2H2 | CAS Common Chemistry |
| InChI Key | InChIKey=HVWXRMINOYZYCK-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1-Iodo-1H,1H,2H,2H-perfluorododecane | CAS Common Chemistry |
| Heavy Atom Count | 34 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 10 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 8.091500000000003 | RDKit |
| Molar Refractivity | 74.082 | RDKit |
