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2-Chloro-1,1,1-Trifluoroethane
CAS: 75-88-7 | C2H2ClF3
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
75-88-7
Molecular Formula:
C2H2ClF3
Molecular Weight:
118.48500000000001 g/mol
Names and Synonyms:
2-Chloro-1,1,1-Trifluoroethane
2,2,2-Trifluoro-1-chloroethane
Forane 133a
F 133a
HCFC 133a
(Chloromethyl)trifluoromethane
1,1,1-Trifluorochloroethane
2,2,2-Trifluoroethyl chloride
Freon 133a
FC 133a
2,2,2-Trifluorochloroethane
R 133a
1,1,1-Trifluoro-2-chloroethane
1-Chloro-2,2,2-trifluoroethane
Genetron 133a
1,1,1-Trifluoroethyl chloride
2-Chloro-1,1,1-trifluoroethane
Ethane, 2-chloro-1,1,1-trifluoro-
Identifiers:
SMILES:
FC(F)(F)CCl
InChI:
InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
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1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
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80
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40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
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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
Molecular
| Property | Value | Source |
|---|---|---|
| Molecular Weight | 118.48500000000001 g/mol | RDKit |
Exact
| Property | Value | Source |
|---|---|---|
| Exact Molecular Weight | 117.979712404 g/mol | RDKit |
Heavy
| Property | Value | Source |
|---|---|---|
| Heavy Atom Count | 6 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 |
Physical Properties
| Property | Value | Source |
|---|---|---|
| LogP | 1.7874999999999999 | RDKit |
| molecular_mass | 118.49 g/mol | Legacy Database |
| density | 1.39 g/cm³ | Legacy Database |
| wikipedia_url | https://en.wikipedia.org/wiki/2-Chloro-1,1,1-trifluoroethane None | Legacy Database |
| cas-boiling-point | 6.1 °C None | Legacy Database |
| cas-canonical-smile | FC(F)(F)CCl None | Legacy Database |
| cas-density | 1.389 g/cm3 @ Temp: 0 °C None | Legacy Database |
| cas-inchi | InChI=1S/C2H2ClF3/c3-1-2(4,5)6/h1H2 None | Legacy Database |
| cas-inchi-key | InChIKey=CYXIKYKBLDZZNW-UHFFFAOYSA-N None | Legacy Database |
| cas-melting-point | -105.3 °C None | Legacy Database |
| cas-name | 2-Chloro-1,1,1-trifluoroethane None | Legacy Database |
| wikipedia-name | 2-Chloro-1,1,1-trifluoroethane None | Legacy Database |
Molar
| Property | Value | Source |
|---|---|---|
| Molar Refractivity | 16.775 | RDKit |
