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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 Weight:
80.07700000000001 g/mol
Names and Synonyms:
Propane, 2,2-Difluoro-
Common Name
HFC 272ca
Synonym
R 272ca
Synonym
Dimethyldifluoromethane
Synonym
2,2-Difluoropropane
Synonym
Propane, 2,2-difluoro-
Synonym
Identifiers:
SMILES:
CC(C)(F)F
InChI:
InChI=1S/C3H6F2/c1-3(2,4)5/h1-2H3
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
Physical Properties
| Property | Value | Source |
|---|---|---|
| molecular_mass | 80.08 g/mol | Legacy Database |
| density | 0.92 g/cm³ | Legacy Database |
| cas-boiling-point | -0.4 °C None | Legacy Database |
| cas-canonical-smile | FC(F)(C)C None | Legacy Database |
| cas-density | 0.92 g/cm3 @ Temp: 20 °C None | Legacy Database |
| cas-inchi | InChI=1S/C3H6F2/c1-3(2,4)5/h1-2H3 None | Legacy Database |
| cas-inchi-key | InChIKey=YZXSQDNPKVBDOG-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -104.8 °C None | Legacy Database |
| cas-name | Propane, 2,2-difluoro- None | Legacy Database |
| LogP | 1.6615 | RDKit |
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 80.07700000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 80.043756632 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 5 count | RDKit |
Hydrogen
| Property | Value | Source |
|---|---|---|
| Hydrogen Bond Acceptors | 0 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit |
Rotatable
| Property | Value | Source |
|---|---|---|
| Rotatable Bonds | 0 count | RDKit |
Aromatic
| Property | Value | Source |
|---|---|---|
| Aromatic Ring Count | 0 count | RDKit |
Topological
| Property | Value | Source |
|---|---|---|
| Topological Polar Surface Area | 0.0 Ų | RDKit |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.295 | RDKit |