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Molecule
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
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Basic Information
- CAS Registry Number
- 2043-53-0
- Molecular Formula
- C10H4F17I
- Molecular Mass
- 574.01 g/mol
Identifiers
CAS Registry Number
2043-53-0
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 Key
XVKJSLBVVRCOIT-UHFFFAOYSA-N
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
Names and Synonyms
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-Iododecane Synonym
- 1-Iodo-3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-heptadecafluorodecane Synonym
- 1-Iodo-2-(perfluorooctyl)ethane Synonym
- 1H,1H,2H,2H-Perfluorodecyl iodide Synonym
- 10-Iodo-1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluorodecane Synonym
- Decane, 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-heptadecafluoro-10-iodo- Synonym
- 1,1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8-Heptadecafluoro-10-iododecane Synonym
- 1-Iodo-1,1,2,2-tetrahydroperfluorodecane Synonym
- 1,1,2,2-Tetrahydroperfluorodecyl iodide Synonym
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl iodide Synonym
- 1-(2-Iodoethyl)heptadecafluorooctane Synonym
- 2-(Perfluorooctyl)ethyl iodide Synonym
- 1-(Perfluorooctyl)-2-iodoethane Synonym
- 2-(n-Perfluorooctyl)ethyl iodide Synonym
- 1-Iodo-1H,1H,2H,2H-perfluorodecane Synonym
- 1H,1H,2H,2H-Heptadecaflurorodecyl iodide Synonym
- Perfluorooctylethyl iodide Synonym
- 3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluoro-1-iododecane Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 574.01 g/mol | CAS Common Chemistry |
| 574.0120000000001 g/mol | RDKit | |
| 574.012 g/mol | RDKit | |
| 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 |
| 6.8209 | RDKit | |
| Molar Refractivity | 64.188 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 573.908627868 g/mol | RDKit |
| Boiling Point | 90-91 °C @ 10 Torr | CAS Common Chemistry |
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 = 574.01 g/mol. Edit any field — others recompute live.
