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Molecule
3-Chloro-1,1,2,2-Tetrafluoropropane
CAS: 679-85-6 · C3H3ClF4
2D Structure
3D Structure
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Basic Information
- CAS Registry Number
- 679-85-6
- Molecular Formula
- C3H3ClF4
- Molecular Mass
- 150.50 g/mol
Identifiers
CAS Registry Number
679-85-6
SMILES
FC(F)C(F)(F)CCl
InChI Key
WMCLYSGSAJGCJY-UHFFFAOYSA-N
InChI
InChI=1S/C3H3ClF4/c4-1-3(7,8)2(5)6/h2H,1H2
Names and Synonyms
- 3-Chloro-1,1,2,2-Tetrafluoropropane Synonym
- Propane, 3-chloro-1,1,2,2-tetrafluoro- Synonym
- 3-Chloro-1,1,2,2-tetrafluoropropane Synonym
- R 244ca Synonym
- 1-Chloro-2,2,3,3-tetrafluoropropane Synonym
- HCFC 244ca Synonym
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 150.50 g/mol | CAS Common Chemistry |
| 150.502 g/mol | RDKit | |
| 150.499 g/mol | chempirical lib | |
| Density | 1.43 g/cm³ | CAS Common Chemistry |
| 1.43 g/cm3 @ 20 °C | CAS Common Chemistry | |
| Boiling Point | 50-51 °C | CAS Common Chemistry |
| Canonical SMILES | FC(F)C(F)(F)CCl | CAS Common Chemistry |
| InChI | InChI=1S/C3H3ClF4/c4-1-3(7,8)2(5)6/h2H,1H2 | CAS Common Chemistry |
| InChI Key | InChIKey=WMCLYSGSAJGCJY-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | -110 °C | CAS Common Chemistry |
| Name | 3-Chloro-1,1,2,2-tetrafluoropropane | CAS Common Chemistry |
| Heavy Atom Count | 8 | 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 | 2.1256000000000004 | RDKit |
| 2.1256 | RDKit | |
| Molar Refractivity | 21.670999999999996 cm³/mol | RDKit |
| Ring Count | 0 | RDKit |
| Formal Charge | 0 | RDKit |
| Fraction Csp3 | 1.0 | RDKit |
| Exact Mass | 149.985940656 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
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MW = 150.50 g/mol; density = 1.430 g/mL. Edit any field — others recompute live.
