Back to Search
Propane, 2,2-Difluoro-
CAS: 420-45-1 | C3H6F2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
420-45-1
Molecular Formula:
C3H6F2
Molecular Mass:
80.08 g/mol
Names and Synonyms:
Propane, 2,2-Difluoro-
Propane, 2,2-difluoro-
2,2-Difluoropropane
Dimethyldifluoromethane
R 272ca
HFC 272ca
Identifiers:
SMILES:
CC(C)(F)F
InChI:
InChI=1S/C3H6F2/c1-3(2,4)5/h1-2H3
Key Properties
Boiling Point
-0.4 °C
CAS Common Chemistry
Melting Point
-104.8 °C
CAS Common Chemistry
Density
0.92 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 | 80.08 g/mol | CAS Common Chemistry |
| 80.07700000000001 g/mol | RDKit | |
| 80.043756632 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.92 g/cm3 @ Temp: 20 °C | CAS Common Chemistry | |
| Boiling Point | -0.4 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)(C)C | CAS Common Chemistry |
| InChI | InChI=1S/C3H6F2/c1-3(2,4)5/h1-2H3 | CAS Common Chemistry |
| InChI Key | InChIKey=YZXSQDNPKVBDOG-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -104.8 °C | CAS Common Chemistry |
| Name | Propane, 2,2-difluoro- | CAS Common Chemistry |
| Heavy Atom Count | 5 | 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 | 1.6615 | RDKit |
| Molar Refractivity | 16.295 | RDKit |
