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Perfluoropropyl Iodide
CAS: 754-34-7 | C3F7I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
754-34-7
Molecular Formula:
C3F7I
Molecular Mass:
295.92 g/mol
Names and Synonyms:
Perfluoropropyl Iodide
Propane, 1,1,1,2,2,3,3-heptafluoro-3-iodo-
Propane, heptafluoro-1-iodo-
1,1,1,2,2,3,3-Heptafluoro-3-iodopropane
Heptafluoro-1-iodopropane
1-Iodoperfluoropropane
Perfluoropropyl iodide
1-Iodoheptafluoropropane
Heptafluoropropyl iodide
n-Heptafluoropropyl iodide
R 217I1
1,1,2,2,3,3,3-Heptafluoro-1-iodopropane
NSC 66409
Identifiers:
SMILES:
FC(F)(F)C(F)(F)C(F)(F)I
InChI:
InChI=1S/C3F7I/c4-1(5,2(6,7)8)3(9,10)11
Key Properties
Boiling Point
41.2 °C
CAS Common Chemistry
Melting Point
-95 °C
CAS Common Chemistry
Density
2.06 g/cm³
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 | 295.92 g/mol | CAS Common Chemistry |
| 295.923 g/mol | RDKit | |
| 295.89329554 g/mol | RDKit | |
| Density | 2.06 g/cm³ | CAS Common Chemistry |
| 2.0626 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 41.2 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(F)C(F)(F)I | CAS Common Chemistry |
| InChI | InChI=1S/C3F7I/c4-1(5,2(6,7)8)3(9,10)11 | CAS Common Chemistry |
| InChI Key | InChIKey=XTGYEAXBNRVNQU-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -95 °C | CAS Common Chemistry |
| Name | Perfluoropropyl iodide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 1 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.2117999999999998 | RDKit |
| Molar Refractivity | 29.969 | RDKit |
