Back to Search
Molecule
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
Identifiers
CAS Registry Number
420-45-1
SMILES
CC(C)(F)F
InChI Key
YZXSQDNPKVBDOG-UHFFFAOYSA-N
InChI
InChI=1S/C3H6F2/c1-3(2,4)5/h1-2H3
Names and Synonyms
- Propane, 2,2-Difluoro- Systematic Name
- Propane, 2,2-difluoro- Synonym
- 2,2-Difluoropropane Synonym
- Dimethyldifluoromethane Synonym
- R 272ca Synonym
- HFC 272ca Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 80.08 g/mol | CAS Common Chemistry |
| 80.07700000000001 g/mol | RDKit | |
| 80.077 g/mol | RDKit | |
| Density | 0.92 g/cm³ | CAS Common Chemistry |
| 0.92 g/cm3 @ 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 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 80.043756632 g/mol | RDKit |
Spectral Data
NMR, IR, and Mass spectral data
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.
External Resources
Convert
Quick conversion
MW = 80.08 g/mol; density = 0.920 g/mL. Edit any field — others recompute live.
