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Perfluoroisopropyl Iodide
CAS: 677-69-0 | C3F7I
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
677-69-0
Molecular Formula:
C3F7I
Molecular Mass:
295.92 g/mol
Names and Synonyms:
Perfluoroisopropyl Iodide
Propane, 1,1,1,2,3,3,3-heptafluoro-2-iodo-
Propane, heptafluoro-2-iodo-
1,1,1,2,3,3,3-Heptafluoro-2-iodopropane
Perfluoroisopropyl iodide
Heptafluoroisopropyl iodide
Heptafluoro-2-iodopropane
Perfluoro-2-iodopropane
2-Iodoheptafluoropropane
Isoheptafluoropropyliodide
2-Iodoperfluoropropane
Bis(trifluoromethyl)fluoroiodomethane
Fluoro(iodo)bis(trifluoromethyl)methane
2-Iodo-1,1,1,2,3,3,3-heptafluoropropane
1,1,1,2,3,3,3-Heptafluoropropan-2-yl iodide
Identifiers:
SMILES:
FC(F)(F)C(F)(I)C(F)(F)F
InChI:
InChI=1S/C3F7I/c4-1(11,2(5,6)7)3(8,9)10
Key Properties
Boiling Point
40 °C
CAS Common Chemistry
Density
2.10 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 | 2.10 g/cm³ | CAS Common Chemistry |
| 2.0990 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 40 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(F)C(F)(I)C(F)(F)F | CAS Common Chemistry |
| InChI | InChI=1S/C3F7I/c4-1(11,2(5,6)7)3(8,9)10 | CAS Common Chemistry |
| InChI Key | InChIKey=BBZVTTKMXRPMHZ-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | Perfluoroisopropyl iodide | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 0 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.2117999999999998 | RDKit |
| Molar Refractivity | 29.969000000000005 | RDKit |
