Back to Search
1,3-Dichloro-1,1,2,2,3,3-Hexafluoropropane
CAS: 662-01-1 | C3Cl2F6
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
662-01-1
Molecular Formula:
C3Cl2F6
Molecular Mass:
220.93 g/mol
Names and Synonyms:
1,3-Dichloro-1,1,2,2,3,3-Hexafluoropropane
Propane, 1,3-dichloro-1,1,2,2,3,3-hexafluoro-
Propane, 1,3-dichlorohexafluoro-
1,3-Dichloro-1,1,2,2,3,3-hexafluoropropane
1,3-Dichlorohexafluoropropane
HCFC 216ca
Identifiers:
SMILES:
FC(F)(Cl)C(F)(F)C(F)(F)Cl
InChI:
InChI=1S/C3Cl2F6/c4-2(8,9)1(6,7)3(5,10)11
Key Properties
Boiling Point
34.6 °C
CAS Common Chemistry
Density
1.57 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 | 220.93 g/mol | CAS Common Chemistry |
| 220.927 g/mol | RDKit | |
| 219.92812468 g/mol | RDKit | |
| Density | 1.57 g/cm³ | CAS Common Chemistry |
| 1.5730 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | 34.6 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(Cl)C(F)(F)C(F)(F)Cl | CAS Common Chemistry |
| InChI | InChI=1S/C3Cl2F6/c4-2(8,9)1(6,7)3(5,10)11 | CAS Common Chemistry |
| InChI Key | InChIKey=JETINLPZEWINFD-UHFFFAOYSA-N | CAS Common Chemistry |
| Name | 1,3-Dichloro-1,1,2,2,3,3-hexafluoropropane | CAS Common Chemistry |
| Heavy Atom Count | 11 | RDKit |
| Hydrogen Bond Acceptors | 0 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 2 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 0.0 Ų | RDKit |
| LogP | 3.2848999999999995 | RDKit |
| Molar Refractivity | 26.547000000000004 | RDKit |
