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Molecule
Perfluorodecyl Iodide
CAS: 423-62-1 · C10F21I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
- CAS Registry Number
- 423-62-1
- Molecular Formula
- C10F21I
- Molecular Mass
- 645.97 g/mol
Identifiers
CAS Registry Number
423-62-1
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)I
InChI Key
UDWBMXSQHOHKOI-UHFFFAOYSA-N
InChI
InChI=1S/C10F21I/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)32
Names and Synonyms
- Perfluorodecyl Iodide Common Name
- Decane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-heneicosafluoro-10-iodo- Synonym
- Decane, heneicosafluoro-1-iodo- Synonym
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Heneicosafluoro-10-iododecane Synonym
- Heneicosafluoro-1-iododecane Synonym
- Perfluorodecyl iodide Synonym
- 1-Iodoperfluorodecane Synonym
- Perfluoro-1-iododecane Synonym
- 1-Iodoheneicosafluorodecane Synonym
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10-Henicosafluoro-10-iododecane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 645.97 g/mol | CAS Common Chemistry |
| 645.972 g/mol | RDKit | |
| Boiling Point | 195 °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)C(F)(F)C(F)(F)I | CAS Common Chemistry |
| InChI | InChI=1S/C10F21I/c11-1(12,3(15,16)5(19,20)7(23,24)9(27,28)29)2(13,14)4(17,18)6(21,22)8(25,26)10(30,31)32 | CAS Common Chemistry |
| InChI Key | InChIKey=UDWBMXSQHOHKOI-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 65.5 °C | CAS Common Chemistry |
| Name | Perfluorodecyl iodide | CAS Common Chemistry |
| Heavy Atom Count | 32 | 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 | 7.658900000000004 | RDKit |
| 7.6589 | RDKit | |
| Molar Refractivity | 64.59799999999998 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 645.87094062 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.
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MW = 645.97 g/mol. Edit any field — others recompute live.
